1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine

C64H49N3 — CID 154965954

IUPAC1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc5c(c4)-c4ccccc4C5(C)C)c4c5cc6ccccc6cc5n(-c5ccccc5)c4c3)ccc21
InChIInChI=1S/C64H49N3/c1-63(2)55-30-18-16-28-50(55)52-38-47(32-34-57(52)63)65(44-22-8-5-9-23-44)49-40-60(62-54-36-42-20-14-15-21-43(42)37-59(54)67(61(62)41-49)46-26-12-7-13-27-46)66(45-24-10-6-11-25-45)48-33-35-58-53(39-48)51-29-17-19-31-56(51)64(58,3)4/h5-41H,1-4H3
InChIKeyDOKFTCBWOGLAPU-UHFFFAOYSA-N
MW860.12 g/mol
LogP17.49
Rot. Bonds7

About 1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine

1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine (PubChem CID 154965954) has the molecular formula C64H49N3 and a molecular weight of 860.12 g/mol. Its IUPAC name is 1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine
PubChem CID154965954
Molecular FormulaC64H49N3
Molecular Weight860.12 g/mol
Exact Mass859.39
IUPAC Name1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc5c(c4)-c4ccccc4C5(C)C)c4c5cc6ccccc6cc5n(-c5ccccc5)c4c3)ccc21
InChIInChI=1S/C64H49N3/c1-63(2)55-30-18-16-28-50(55)52-38-47(32-34-57(52)63)65(44-22-8-5-9-23-44)49-40-60(62-54-36-42-20-14-15-21-43(42)37-59(54)67(61(62)41-49)46-26-12-7-13-27-46)66(45-24-10-6-11-25-45)48-33-35-58-53(39-48)51-29-17-19-31-56(51)64(58,3)4/h5-41H,1-4H3
InChIKeyDOKFTCBWOGLAPU-UHFFFAOYSA-N
XLogP17.49
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.12
LogP ≤ 517.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
CID 154965664
2-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylfluoren-3-yl)-2-N,4-N-diphenyl-9-(4-phenylphenyl)carbazole-2,4-diamine
CID 139496524
4-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-9-naphthalen-2-yl-2-N,2-N,4-N-triphenylcarbazole-2,4-diamine
CID 154965960
11-(9,9-dimethylfluoren-2-yl)-7-N,7-N,9-N,9-N-tetraphenylbenzo[a]carbazole-7,9-diamine;5-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine;5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenylbenzo[b]carbazole-1,3-diamine
CID 160753500
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505
N-[3-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 139551201
11-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine
CID 154965731
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine
CID 155034701
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,9-triphenylcarbazole-2,4-diamine;4-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-2-N,2-N,4-N,9-tetraphenylcarbazole-2,4-diamine;4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,9-triphenylcarbazol-2-amine
CID 161246541
22,22-dimethyl-N,N-diphenyl-10-(4-phenylphenyl)-10-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16,18,20,23-undecaen-6-amine
CID 118668017
N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-diphenyl-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine
CID 137385905
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine?
The IUPAC name of 1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine (CID 154965954) is 1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine.
What is the SMILES notation for 1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine?
The canonical SMILES for 1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc5c(c4)-c4ccccc4C5(C)C)c4c5cc6ccccc6cc5n(-c5ccccc5)c4c3)ccc21.
What is the InChIKey of 1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine?
The InChIKey is DOKFTCBWOGLAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H49N3/c1-63(2)55-30-18-16-28-50(55)52-38-47(32-34-57(52)63)65(44-22-8-5-9-23-44)49-40-60(62-54-36-42-20-14-15-21-43(42)37-59(54)67(61(62)41-49)46-26-12-7-13-27-46)66(45-24-10-6-11-25-45)48-33-35-58-53(39-48)51-29-17-19-31-56(51)64(58,3)4/h5-41H,1-4H3.
What are the key properties of 1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine?
1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine has a molecular weight of 860.12 g/mol, XLogP of 17.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine is sourced from PubChem (CID 154965954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).