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

C174H120N8O4 — CID 165013647

IUPACN,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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4c5ccccc5n5c4oc4ccccc45)cc3)c3cccc4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c4ccccc4n4c3oc3ccccc34)cc21.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2c3ccccc3n3c2oc2ccccc23)cc1.c1ccc2c(N(c3ccc(-c4c5ccccc5n5c4oc4ccccc45)cc3)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C45H28N2O.C45H32N2O.C44H34N2O.C40H26N2O/c1-2-14-29(15-3-1)46(43-35-19-7-11-23-40(35)47-41-24-12-13-25-42(41)48-44(43)47)30-26-27-34-33-18-6-10-22-38(33)45(39(34)28-30)36-20-8-4-16-31(36)32-17-5-9-21-37(32)45;1-45(2)37-17-7-5-15-34(37)35-27-26-32(28-38(35)45)46(39-20-11-13-29-12-3-4-14-33(29)39)31-24-22-30(23-25-31)43-36-16-6-8-18-40(36)47-41-19-9-10-21-42(41)48-44(43)47;1-43(2)34-16-8-5-13-29(34)31-23-21-27(25-36(31)43)45(28-22-24-32-30-14-6-9-17-35(30)44(3,4)37(32)26-28)41-33-15-7-10-18-38(33)46-39-19-11-12-20-40(39)47-42(41)46;1-3-15-31-27(11-1)13-9-20-34(31)41(35-21-10-14-28-12-2-4-16-32(28)35)30-25-23-29(24-26-30)39-33-17-5-6-18-36(33)42-37-19-7-8-22-38(37)43-40(39)42/h1-28H;3-28H,1-2H3;5-26H,1-4H3;1-26H
InChIKeyKBQFSSKXWZSGOY-UHFFFAOYSA-N
MW2386.93 g/mol
LogP47.29
Rot. Bonds14

About 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

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 (PubChem CID 165013647) has the molecular formula C174H120N8O4 and a molecular weight of 2386.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID165013647
Molecular FormulaC174H120N8O4
Molecular Weight2386.93 g/mol
Exact Mass2384.94
IUPAC NameN,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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4c5ccccc5n5c4oc4ccccc45)cc3)c3cccc4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c4ccccc4n4c3oc3ccccc34)cc21.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2c3ccccc3n3c2oc2ccccc23)cc1.c1ccc2c(N(c3ccc(-c4c5ccccc5n5c4oc4ccccc45)cc3)c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C45H28N2O.C45H32N2O.C44H34N2O.C40H26N2O/c1-2-14-29(15-3-1)46(43-35-19-7-11-23-40(35)47-41-24-12-13-25-42(41)48-44(43)47)30-26-27-34-33-18-6-10-22-38(33)45(39(34)28-30)36-20-8-4-16-31(36)32-17-5-9-21-37(32)45;1-45(2)37-17-7-5-15-34(37)35-27-26-32(28-38(35)45)46(39-20-11-13-29-12-3-4-14-33(29)39)31-24-22-30(23-25-31)43-36-16-6-8-18-40(36)47-41-19-9-10-21-42(41)48-44(43)47;1-43(2)34-16-8-5-13-29(34)31-23-21-27(25-36(31)43)45(28-22-24-32-30-14-6-9-17-35(30)44(3,4)37(32)26-28)41-33-15-7-10-18-38(33)46-39-19-11-12-20-40(39)47-42(41)46;1-3-15-31-27(11-1)13-9-20-34(31)41(35-21-10-14-28-12-2-4-16-32(28)35)30-25-23-29(24-26-30)39-33-17-5-6-18-36(33)42-37-19-7-8-22-38(37)43-40(39)42/h1-28H;3-28H,1-2H3;5-26H,1-4H3;1-26H
InChIKeyKBQFSSKXWZSGOY-UHFFFAOYSA-N
XLogP47.29
TPSA83.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002386.93
LogP ≤ 547.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

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
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712
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
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-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]fluoren-2-amine
CID 59221652
N-[9,9-dimethyl-7-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)fluoren-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 152835984
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
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 157179912
9,9-dimethyl-N-phenyl-N-[2,3,5,6-tetrafluoro-4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]fluoren-2-amine
CID 59221527

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4c5ccccc5n5c4oc4ccccc45)cc3)c3cccc4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c4ccccc4n4c3oc3ccccc34)cc21.c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2c3ccccc3n3c2oc2ccccc23)cc1.c1ccc2c(N(c3ccc(-c4c5ccccc5n5c4oc4ccccc45)cc3)c3cccc4ccccc34)cccc2c1.
What is the InChIKey of 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?
The InChIKey is KBQFSSKXWZSGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2O.C45H32N2O.C44H34N2O.C40H26N2O/c1-2-14-29(15-3-1)46(43-35-19-7-11-23-40(35)47-41-24-12-13-25-42(41)48-44(43)47)30-26-27-34-33-18-6-10-22-38(33)45(39(34)28-30)36-20-8-4-16-31(36)32-17-5-9-21-37(32)45;1-45(2)37-17-7-5-15-34(37)35-27-26-32(28-38(35)45)46(39-20-11-13-29-12-3-4-14-33(29)39)31-24-22-30(23-25-31)43-36-16-6-8-18-40(36)47-41-19-9-10-21-42(41)48-44(43)47;1-43(2)34-16-8-5-13-29(34)31-23-21-27(25-36(31)43)45(28-22-24-32-30-14-6-9-17-35(30)44(3,4)37(32)26-28)41-33-15-7-10-18-38(33)46-39-19-11-12-20-40(39)47-42(41)46;1-3-15-31-27(11-1)13-9-20-34(31)41(35-21-10-14-28-12-2-4-16-32(28)35)30-25-23-29(24-26-30)39-33-17-5-6-18-36(33)42-37-19-7-8-22-38(37)43-40(39)42/h1-28H;3-28H,1-2H3;5-26H,1-4H3;1-26H.
What are the key properties of 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?
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 has a molecular weight of 2386.93 g/mol, XLogP of 47.29, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165013647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).