11-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine

C59H43N3 — CID 154965731

IUPAC11-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc4c3c3c5ccccc5ccc3n4-c3ccccc3)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C59H43N3/c1-59(2)52-36-42-21-16-15-20-41(42)35-51(52)50-33-32-47(37-53(50)59)61(45-26-11-5-12-27-45)55-38-48(60(43-22-7-3-8-23-43)44-24-9-4-10-25-44)39-56-58(55)57-49-30-18-17-19-40(49)31-34-54(57)62(56)46-28-13-6-14-29-46/h3-39H,1-2H3
InChIKeyMMQKOWZWSVZMNG-UHFFFAOYSA-N
MW794.01 g/mol
LogP16.34
Rot. Bonds7

About 11-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine

11-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine (PubChem CID 154965731) has the molecular formula C59H43N3 and a molecular weight of 794.01 g/mol. Its IUPAC name is 11-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine.

Molecular Properties

Compound Name11-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine
PubChem CID154965731
Molecular FormulaC59H43N3
Molecular Weight794.01 g/mol
Exact Mass793.35
IUPAC Name11-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc4c3c3c5ccccc5ccc3n4-c3ccccc3)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C59H43N3/c1-59(2)52-36-42-21-16-15-20-41(42)35-51(52)50-33-32-47(37-53(50)59)61(45-26-11-5-12-27-45)55-38-48(60(43-22-7-3-8-23-43)44-24-9-4-10-25-44)39-56-58(55)57-49-30-18-17-19-40(49)31-34-54(57)62(56)46-28-13-6-14-29-46/h3-39H,1-2H3
InChIKeyMMQKOWZWSVZMNG-UHFFFAOYSA-N
XLogP16.34
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.01
LogP ≤ 516.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-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

11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine
CID 154965910
N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 168771532
2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
CID 154965664
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-N-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine;11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,7-triphenylbenzo[g]carbazol-9-amine;2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,7,9-pentakis-phenylcarbazole-2,4-diamine
CID 161187599
1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine
CID 154965954
10-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-N,N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine
CID 90125563
9,9-dimethyl-N-[4-(11-naphthalen-2-ylbenzo[c]carbazol-7-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177100908
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
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
CID 70853904
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
N-[9,9-dimethyl-7-(7-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)fluoren-2-yl]-N,9-diphenylcarbazol-3-amine
CID 177100411

Frequently Asked Questions

What is the IUPAC name of 11-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine?
The IUPAC name of 11-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine (CID 154965731) is 11-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine.
What is the SMILES notation for 11-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine?
The canonical SMILES for 11-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine is CC1(C)c2cc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc4c3c3c5ccccc5ccc3n4-c3ccccc3)ccc2-c2cc3ccccc3cc21.
What is the InChIKey of 11-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine?
The InChIKey is MMQKOWZWSVZMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43N3/c1-59(2)52-36-42-21-16-15-20-41(42)35-51(52)50-33-32-47(37-53(50)59)61(45-26-11-5-12-27-45)55-38-48(60(43-22-7-3-8-23-43)44-24-9-4-10-25-44)39-56-58(55)57-49-30-18-17-19-40(49)31-34-54(57)62(56)46-28-13-6-14-29-46/h3-39H,1-2H3.
What are the key properties of 11-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine?
11-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine has a molecular weight of 794.01 g/mol, XLogP of 16.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine is sourced from PubChem (CID 154965731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).