N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine

C153H115N7 — CID 161461868

IUPACN,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccnc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C55H40N2.C50H37N3.C48H38N2/c1-55(2)50-26-13-11-23-45(50)46-30-29-42(36-51(46)55)56(41-21-15-18-38(34-41)37-16-5-3-6-17-37)53-33-31-43(44-22-9-10-24-47(44)53)39-28-32-54-49(35-39)48-25-12-14-27-52(48)57(54)40-19-7-4-8-20-40;1-50(2)46-16-8-6-14-42(46)43-28-27-41(32-47(43)50)52(40-25-20-35(21-26-40)37-11-10-30-51-33-37)39-23-18-34(19-24-39)36-22-29-49-45(31-36)44-15-7-9-17-48(44)53(49)38-12-4-3-5-13-38;1-47(2)41-19-11-8-16-35(41)37-25-22-33(29-43(37)47)49(34-23-26-38-36-17-9-12-20-42(36)48(3,4)44(38)30-34)32-24-27-46-40(28-32)39-18-10-13-21-45(39)50(46)31-14-6-5-7-15-31/h3-36H,1-2H3;3-33H,1-2H3;5-30H,1-4H3
InChIKeyWBXOGXBMABLVPT-UHFFFAOYSA-N
MW2051.65 g/mol
LogP41.20
Rot. Bonds16

About N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine (PubChem CID 161461868) has the molecular formula C153H115N7 and a molecular weight of 2051.65 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine
PubChem CID161461868
Molecular FormulaC153H115N7
Molecular Weight2051.65 g/mol
Exact Mass2049.92
IUPAC NameN,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccnc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C55H40N2.C50H37N3.C48H38N2/c1-55(2)50-26-13-11-23-45(50)46-30-29-42(36-51(46)55)56(41-21-15-18-38(34-41)37-16-5-3-6-17-37)53-33-31-43(44-22-9-10-24-47(44)53)39-28-32-54-49(35-39)48-25-12-14-27-52(48)57(54)40-19-7-4-8-20-40;1-50(2)46-16-8-6-14-42(46)43-28-27-41(32-47(43)50)52(40-25-20-35(21-26-40)37-11-10-30-51-33-37)39-23-18-34(19-24-39)36-22-29-49-45(31-36)44-15-7-9-17-48(44)53(49)38-12-4-3-5-13-38;1-47(2)41-19-11-8-16-35(41)37-25-22-33(29-43(37)47)49(34-23-26-38-36-17-9-12-20-42(36)48(3,4)44(38)30-34)32-24-27-46-40(28-32)39-18-10-13-21-45(39)50(46)31-14-6-5-7-15-31/h3-36H,1-2H3;3-33H,1-2H3;5-30H,1-4H3
InChIKeyWBXOGXBMABLVPT-UHFFFAOYSA-N
XLogP41.20
TPSA37.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms160
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002051.65
LogP ≤ 541.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine (CID 161461868) is N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccnc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)cc21.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine?
The InChIKey is WBXOGXBMABLVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2.C50H37N3.C48H38N2/c1-55(2)50-26-13-11-23-45(50)46-30-29-42(36-51(46)55)56(41-21-15-18-38(34-41)37-16-5-3-6-17-37)53-33-31-43(44-22-9-10-24-47(44)53)39-28-32-54-49(35-39)48-25-12-14-27-52(48)57(54)40-19-7-4-8-20-40;1-50(2)46-16-8-6-14-42(46)43-28-27-41(32-47(43)50)52(40-25-20-35(21-26-40)37-11-10-30-51-33-37)39-23-18-34(19-24-39)36-22-29-49-45(31-36)44-15-7-9-17-48(44)53(49)38-12-4-3-5-13-38;1-47(2)41-19-11-8-16-35(41)37-25-22-33(29-43(37)47)49(34-23-26-38-36-17-9-12-20-42(36)48(3,4)44(38)30-34)32-24-27-46-40(28-32)39-18-10-13-21-45(39)50(46)31-14-6-5-7-15-31/h3-36H,1-2H3;3-33H,1-2H3;5-30H,1-4H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine?
N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine has a molecular weight of 2051.65 g/mol, XLogP of 41.20, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 161461868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).