N,N-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazol-11-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(4-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-11-yl]phenyl]fluoren-2-amine;2-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)indolo[2,1-b][1,3]benzoxazol-11-amine

C166H114N6O3 — CID 165049037

IUPACN,N-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazol-11-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(4-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-11-yl]phenyl]fluoren-2-amine;2-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)indolo[2,1-b][1,3]benzoxazol-11-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4c5cc(-c6ccc(-c7ccccc7)cc6)ccc5n5c4oc4ccccc45)cc3)c3cccc4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c4cc(-c5ccc6ccccc6c5)ccc4n4c3oc3ccccc34)cc21.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2c3cc(-c4cccc5ccccc45)ccc3n3c2oc2ccccc23)cc1
InChIInChI=1S/C57H40N2O.C55H34N2O.C54H40N2O/c1-57(2)49-19-9-8-18-46(49)47-33-32-44(36-50(47)57)58(51-21-12-16-40-15-6-7-17-45(40)51)43-30-27-41(28-31-43)55-48-35-42(39-25-23-38(24-26-39)37-13-4-3-5-14-37)29-34-52(48)59-53-20-10-11-22-54(53)60-56(55)59;1-2-17-37(18-3-1)56(38-30-31-44-43-22-8-11-26-48(43)55(49(44)34-38)46-24-9-6-20-41(46)42-21-7-10-25-47(42)55)53-45-33-36(40-23-14-16-35-15-4-5-19-39(35)40)29-32-50(45)57-51-27-12-13-28-52(51)58-54(53)57;1-53(2)44-17-9-7-15-39(44)41-26-24-37(31-46(41)53)55(38-25-27-42-40-16-8-10-18-45(40)54(3,4)47(42)32-38)51-43-30-36(35-22-21-33-13-5-6-14-34(33)29-35)23-28-48(43)56-49-19-11-12-20-50(49)57-52(51)56/h3-36H,1-2H3;1-34H;5-32H,1-4H3
InChIKeyPJGWLFQRJNUOCK-UHFFFAOYSA-N
MW2240.78 g/mol
LogP44.98
Rot. Bonds14

About N,N-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazol-11-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(4-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-11-yl]phenyl]fluoren-2-amine;2-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)indolo[2,1-b][1,3]benzoxazol-11-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazol-11-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(4-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-11-yl]phenyl]fluoren-2-amine;2-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)indolo[2,1-b][1,3]benzoxazol-11-amine (PubChem CID 165049037) has the molecular formula C166H114N6O3 and a molecular weight of 2240.78 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazol-11-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(4-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-11-yl]phenyl]fluoren-2-amine;2-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)indolo[2,1-b][1,3]benzoxazol-11-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazol-11-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(4-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-11-yl]phenyl]fluoren-2-amine;2-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)indolo[2,1-b][1,3]benzoxazol-11-amine
PubChem CID165049037
Molecular FormulaC166H114N6O3
Molecular Weight2240.78 g/mol
Exact Mass2238.90
IUPAC NameN,N-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazol-11-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(4-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-11-yl]phenyl]fluoren-2-amine;2-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)indolo[2,1-b][1,3]benzoxazol-11-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4c5cc(-c6ccc(-c7ccccc7)cc6)ccc5n5c4oc4ccccc45)cc3)c3cccc4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c4cc(-c5ccc6ccccc6c5)ccc4n4c3oc3ccccc34)cc21.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2c3cc(-c4cccc5ccccc45)ccc3n3c2oc2ccccc23)cc1
InChIInChI=1S/C57H40N2O.C55H34N2O.C54H40N2O/c1-57(2)49-19-9-8-18-46(49)47-33-32-44(36-50(47)57)58(51-21-12-16-40-15-6-7-17-45(40)51)43-30-27-41(28-31-43)55-48-35-42(39-25-23-38(24-26-39)37-13-4-3-5-14-37)29-34-52(48)59-53-20-10-11-22-54(53)60-56(55)59;1-2-17-37(18-3-1)56(38-30-31-44-43-22-8-11-26-48(43)55(49(44)34-38)46-24-9-6-20-41(46)42-21-7-10-25-47(42)55)53-45-33-36(40-23-14-16-35-15-4-5-19-39(35)40)29-32-50(45)57-51-27-12-13-28-52(51)58-54(53)57;1-53(2)44-17-9-7-15-39(44)41-26-24-37(31-46(41)53)55(38-25-27-42-40-16-8-10-18-45(40)54(3,4)47(42)32-38)51-43-30-36(35-22-21-33-13-5-6-14-34(33)29-35)23-28-48(43)56-49-19-11-12-20-50(49)57-52(51)56/h3-36H,1-2H3;1-34H;5-32H,1-4H3
InChIKeyPJGWLFQRJNUOCK-UHFFFAOYSA-N
XLogP44.98
TPSA62.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms175
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002240.78
LogP ≤ 544.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N,N-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazol-11-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(4-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-11-yl]phenyl]fluoren-2-amine;2-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)indolo[2,1-b][1,3]benzoxazol-11-amine with MolForge

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Related Compounds

N,N-bis(9,9-dimethylfluoren-2-yl)indolo[2,1-b][1,3]benzoxazol-11-amine;N-(4-indolo[2,1-b][1,3]benzoxazol-11-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-(4-indolo[2,1-b][1,3]benzoxazol-11-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)indolo[2,1-b][1,3]benzoxazol-11-amine
CID 165013647
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 159277713
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-naphthalen-1-ylphenyl)-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N-(4-naphthalen-2-ylphenyl)-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-[4-(3-phenylphenyl)phenyl]fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 157496502
9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 159246484
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 165052112
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(6-phenylnaphthalen-2-yl)-N-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 158174962
N-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 167176670
N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-1-yl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-2-yl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 160543071
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157310946
9,9-dimethyl-N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine;9,9-dimethyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine;9,9-dimethyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 161026031
N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[4-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 161172662

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazol-11-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(4-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-11-yl]phenyl]fluoren-2-amine;2-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)indolo[2,1-b][1,3]benzoxazol-11-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazol-11-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(4-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-11-yl]phenyl]fluoren-2-amine;2-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)indolo[2,1-b][1,3]benzoxazol-11-amine (CID 165049037) is N,N-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazol-11-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(4-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-11-yl]phenyl]fluoren-2-amine;2-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)indolo[2,1-b][1,3]benzoxazol-11-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazol-11-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(4-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-11-yl]phenyl]fluoren-2-amine;2-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)indolo[2,1-b][1,3]benzoxazol-11-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazol-11-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(4-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-11-yl]phenyl]fluoren-2-amine;2-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)indolo[2,1-b][1,3]benzoxazol-11-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4c5cc(-c6ccc(-c7ccccc7)cc6)ccc5n5c4oc4ccccc45)cc3)c3cccc4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c4cc(-c5ccc6ccccc6c5)ccc4n4c3oc3ccccc34)cc21.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2c3cc(-c4cccc5ccccc45)ccc3n3c2oc2ccccc23)cc1.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazol-11-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(4-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-11-yl]phenyl]fluoren-2-amine;2-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)indolo[2,1-b][1,3]benzoxazol-11-amine?
The InChIKey is PJGWLFQRJNUOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2O.C55H34N2O.C54H40N2O/c1-57(2)49-19-9-8-18-46(49)47-33-32-44(36-50(47)57)58(51-21-12-16-40-15-6-7-17-45(40)51)43-30-27-41(28-31-43)55-48-35-42(39-25-23-38(24-26-39)37-13-4-3-5-14-37)29-34-52(48)59-53-20-10-11-22-54(53)60-56(55)59;1-2-17-37(18-3-1)56(38-30-31-44-43-22-8-11-26-48(43)55(49(44)34-38)46-24-9-6-20-41(46)42-21-7-10-25-47(42)55)53-45-33-36(40-23-14-16-35-15-4-5-19-39(35)40)29-32-50(45)57-51-27-12-13-28-52(51)58-54(53)57;1-53(2)44-17-9-7-15-39(44)41-26-24-37(31-46(41)53)55(38-25-27-42-40-16-8-10-18-45(40)54(3,4)47(42)32-38)51-43-30-36(35-22-21-33-13-5-6-14-34(33)29-35)23-28-48(43)56-49-19-11-12-20-50(49)57-52(51)56/h3-36H,1-2H3;1-34H;5-32H,1-4H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazol-11-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(4-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-11-yl]phenyl]fluoren-2-amine;2-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)indolo[2,1-b][1,3]benzoxazol-11-amine?
N,N-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazol-11-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(4-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-11-yl]phenyl]fluoren-2-amine;2-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)indolo[2,1-b][1,3]benzoxazol-11-amine has a molecular weight of 2240.78 g/mol, XLogP of 44.98, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazol-11-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[2-(4-phenylphenyl)indolo[2,1-b][1,3]benzoxazol-11-yl]phenyl]fluoren-2-amine;2-naphthalen-1-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)indolo[2,1-b][1,3]benzoxazol-11-amine is sourced from PubChem (CID 165049037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).