4-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-9-naphthalen-2-yl-2-N,2-N,4-N-triphenylcarbazole-2,4-diamine

C59H43N3 — CID 154965960

IUPAC4-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-9-naphthalen-2-yl-2-N,2-N,4-N-triphenylcarbazole-2,4-diamine
SMILESCC1(C)c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc4c3c3ccccc3n4-c3ccc4ccccc4c3)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C59H43N3/c1-59(2)53-33-32-48(37-52(53)51-35-42-20-14-15-21-43(42)36-54(51)59)61(46-26-10-5-11-27-46)56-38-49(60(44-22-6-3-7-23-44)45-24-8-4-9-25-45)39-57-58(56)50-28-16-17-29-55(50)62(57)47-31-30-40-18-12-13-19-41(40)34-47/h3-39H,1-2H3
InChIKeyKEFNXUKTNWSNRM-UHFFFAOYSA-N
MW794.01 g/mol
LogP16.34
Rot. Bonds7

About 4-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-9-naphthalen-2-yl-2-N,2-N,4-N-triphenylcarbazole-2,4-diamine

4-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-9-naphthalen-2-yl-2-N,2-N,4-N-triphenylcarbazole-2,4-diamine (PubChem CID 154965960) has the molecular formula C59H43N3 and a molecular weight of 794.01 g/mol. Its IUPAC name is 4-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-9-naphthalen-2-yl-2-N,2-N,4-N-triphenylcarbazole-2,4-diamine.

Molecular Properties

Compound Name4-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-9-naphthalen-2-yl-2-N,2-N,4-N-triphenylcarbazole-2,4-diamine
PubChem CID154965960
Molecular FormulaC59H43N3
Molecular Weight794.01 g/mol
Exact Mass793.35
IUPAC Name4-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-9-naphthalen-2-yl-2-N,2-N,4-N-triphenylcarbazole-2,4-diamine
SMILESCC1(C)c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc4c3c3ccccc3n4-c3ccc4ccccc4c3)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C59H43N3/c1-59(2)53-33-32-48(37-52(53)51-35-42-20-14-15-21-43(42)36-54(51)59)61(46-26-10-5-11-27-46)56-38-49(60(44-22-6-3-7-23-44)45-24-8-4-9-25-45)39-57-58(56)50-28-16-17-29-55(50)62(57)47-31-30-40-18-12-13-19-41(40)34-47/h3-39H,1-2H3
InChIKeyKEFNXUKTNWSNRM-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

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Related Compounds

9-naphthalen-2-yl-2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-3-yl)carbazole-2,4-diamine
CID 154965674
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
1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine
CID 154965954
2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
CID 154965664
11-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-9-N,9-N,11-N,7-tetraphenylbenzo[g]carbazole-9,11-diamine
CID 154965731
2-N,2-N-bis(9,9-diphenylfluoren-2-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine
CID 154965860
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
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
2-N,2-N-di(dibenzothiophen-3-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine
CID 154965730
N-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-N-phenylcarbazol-4-amine;N-(3,5-diphenylphenyl)-9-naphthalen-2-yl-N-phenylcarbazol-4-amine
CID 160778947
N-(11,11-dimethylbenzo[b]fluoren-8-yl)-N,9-diphenylcarbazol-4-amine
CID 156554164
6-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-2-amine
CID 139500760

Frequently Asked Questions

What is the IUPAC name of 4-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-9-naphthalen-2-yl-2-N,2-N,4-N-triphenylcarbazole-2,4-diamine?
The IUPAC name of 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) is 4-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-9-naphthalen-2-yl-2-N,2-N,4-N-triphenylcarbazole-2,4-diamine.
What is the SMILES notation for 4-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-9-naphthalen-2-yl-2-N,2-N,4-N-triphenylcarbazole-2,4-diamine?
The canonical SMILES for 4-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-9-naphthalen-2-yl-2-N,2-N,4-N-triphenylcarbazole-2,4-diamine is CC1(C)c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc4c3c3ccccc3n4-c3ccc4ccccc4c3)cc2-c2cc3ccccc3cc21.
What is the InChIKey of 4-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-9-naphthalen-2-yl-2-N,2-N,4-N-triphenylcarbazole-2,4-diamine?
The InChIKey is KEFNXUKTNWSNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43N3/c1-59(2)53-33-32-48(37-52(53)51-35-42-20-14-15-21-43(42)36-54(51)59)61(46-26-10-5-11-27-46)56-38-49(60(44-22-6-3-7-23-44)45-24-8-4-9-25-45)39-57-58(56)50-28-16-17-29-55(50)62(57)47-31-30-40-18-12-13-19-41(40)34-47/h3-39H,1-2H3.
What are the key properties of 4-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-9-naphthalen-2-yl-2-N,2-N,4-N-triphenylcarbazole-2,4-diamine?
4-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-9-naphthalen-2-yl-2-N,2-N,4-N-triphenylcarbazole-2,4-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 4-N-(11,11-dimethylbenzo[b]fluoren-3-yl)-9-naphthalen-2-yl-2-N,2-N,4-N-triphenylcarbazole-2,4-diamine is sourced from PubChem (CID 154965960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).