2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine

C51H39N3 — CID 154965664

IUPAC2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)c4c5ccccc5n(-c5ccccc5)c4c3)cc21
InChIInChI=1S/C51H39N3/c1-51(2)45-29-17-15-27-42(45)43-32-31-40(33-46(43)51)52(36-19-7-3-8-20-36)41-34-48(53(37-21-9-4-10-22-37)38-23-11-5-12-24-38)50-44-28-16-18-30-47(44)54(49(50)35-41)39-25-13-6-14-26-39/h3-35H,1-2H3
InChIKeyYODIOJKKNUVVEQ-UHFFFAOYSA-N
MW693.89 g/mol
LogP14.03
Rot. Bonds7

About 2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine

2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine (PubChem CID 154965664) has the molecular formula C51H39N3 and a molecular weight of 693.89 g/mol. Its IUPAC name is 2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine.

Molecular Properties

Compound Name2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
PubChem CID154965664
Molecular FormulaC51H39N3
Molecular Weight693.89 g/mol
Exact Mass693.31
IUPAC Name2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)c4c5ccccc5n(-c5ccccc5)c4c3)cc21
InChIInChI=1S/C51H39N3/c1-51(2)45-29-17-15-27-42(45)43-32-31-40(33-46(43)51)52(36-19-7-3-8-20-36)41-34-48(53(37-21-9-4-10-22-37)38-23-11-5-12-24-38)50-44-28-16-18-30-47(44)54(49(50)35-41)39-25-13-6-14-26-39/h3-35H,1-2H3
InChIKeyYODIOJKKNUVVEQ-UHFFFAOYSA-N
XLogP14.03
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.89
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-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)-4-N-(9,9-dimethylfluoren-3-yl)-2-N,4-N-diphenyl-9-(4-phenylphenyl)carbazole-2,4-diamine
CID 139496524
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
1-N,3-N-bis(9,9-dimethylfluoren-3-yl)-1-N,3-N,5-triphenylbenzo[b]carbazole-1,3-diamine
CID 154965954
4-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine
CID 154965980
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-2-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-4-amine
CID 166647118
2-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylfluoren-3-yl)-9-ethyl-2-N,4-N-diphenylcarbazole-2,4-diamine
CID 139496510
N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141
N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 168771532
4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163439263
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 159513219
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

Frequently Asked Questions

What is the IUPAC name of 2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine?
The IUPAC name of 2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine (CID 154965664) is 2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine.
What is the SMILES notation for 2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine?
The canonical SMILES for 2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)c4c5ccccc5n(-c5ccccc5)c4c3)cc21.
What is the InChIKey of 2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine?
The InChIKey is YODIOJKKNUVVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N3/c1-51(2)45-29-17-15-27-42(45)43-32-31-40(33-46(43)51)52(36-19-7-3-8-20-36)41-34-48(53(37-21-9-4-10-22-37)38-23-11-5-12-24-38)50-44-28-16-18-30-47(44)54(49(50)35-41)39-25-13-6-14-26-39/h3-35H,1-2H3.
What are the key properties of 2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine?
2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine has a molecular weight of 693.89 g/mol, XLogP of 14.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine is sourced from PubChem (CID 154965664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).