9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-7H-indeno[2,1-b]carbazol-2-yl]phenyl]fluoren-3-amine

C64H46N2 — CID 154935118

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-7H-indeno[2,1-b]carbazol-2-yl]phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccc(-c5ccccc5)cc4)Cc4ccccc4-6)cc3)ccc21
InChIInChI=1S/C64H46N2/c1-64(2)60-20-12-11-19-55(60)57-40-53(34-35-61(57)64)65(50-28-21-44(22-29-50)42-13-5-3-6-14-42)51-30-25-46(26-31-51)47-27-36-62-58(38-47)59-41-56-49(37-48-17-9-10-18-54(48)56)39-63(59)66(62)52-32-23-45(24-33-52)43-15-7-4-8-16-43/h3-36,38-41H,37H2,1-2H3
InChIKeyYHZHYCOKFBVROO-UHFFFAOYSA-N
MW843.09 g/mol
LogP17.13
Rot. Bonds7

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-7H-indeno[2,1-b]carbazol-2-yl]phenyl]fluoren-3-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-7H-indeno[2,1-b]carbazol-2-yl]phenyl]fluoren-3-amine (PubChem CID 154935118) has the molecular formula C64H46N2 and a molecular weight of 843.09 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-7H-indeno[2,1-b]carbazol-2-yl]phenyl]fluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-7H-indeno[2,1-b]carbazol-2-yl]phenyl]fluoren-3-amine
PubChem CID154935118
Molecular FormulaC64H46N2
Molecular Weight843.09 g/mol
Exact Mass842.37
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-7H-indeno[2,1-b]carbazol-2-yl]phenyl]fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccc(-c5ccccc5)cc4)Cc4ccccc4-6)cc3)ccc21
InChIInChI=1S/C64H46N2/c1-64(2)60-20-12-11-19-55(60)57-40-53(34-35-61(57)64)65(50-28-21-44(22-29-50)42-13-5-3-6-14-42)51-30-25-46(26-31-51)47-27-36-62-58(38-47)59-41-56-49(37-48-17-9-10-18-54(48)56)39-63(59)66(62)52-32-23-45(24-33-52)43-15-7-4-8-16-43/h3-36,38-41H,37H2,1-2H3
InChIKeyYHZHYCOKFBVROO-UHFFFAOYSA-N
XLogP17.13
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.09
LogP ≤ 517.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-7H-indeno[2,1-b]carbazol-2-yl]phenyl]fluoren-3-amine 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

N-phenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-9H-fluoren-3-amine
CID 145232650
4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 66585298
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-phenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-2-amine
CID 66798022
N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)-6,7-dihydrofluoren-3-amine
CID 154935189
N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine;N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)-7-phenylcarbazol-3-yl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 159079449
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
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
3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 90185823
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385657
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
N-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 90164114

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-7H-indeno[2,1-b]carbazol-2-yl]phenyl]fluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-7H-indeno[2,1-b]carbazol-2-yl]phenyl]fluoren-3-amine (CID 154935118) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-7H-indeno[2,1-b]carbazol-2-yl]phenyl]fluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-7H-indeno[2,1-b]carbazol-2-yl]phenyl]fluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-7H-indeno[2,1-b]carbazol-2-yl]phenyl]fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccc(-c5ccccc5)cc4)Cc4ccccc4-6)cc3)ccc21.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-7H-indeno[2,1-b]carbazol-2-yl]phenyl]fluoren-3-amine?
The InChIKey is YHZHYCOKFBVROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N2/c1-64(2)60-20-12-11-19-55(60)57-40-53(34-35-61(57)64)65(50-28-21-44(22-29-50)42-13-5-3-6-14-42)51-30-25-46(26-31-51)47-27-36-62-58(38-47)59-41-56-49(37-48-17-9-10-18-54(48)56)39-63(59)66(62)52-32-23-45(24-33-52)43-15-7-4-8-16-43/h3-36,38-41H,37H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-7H-indeno[2,1-b]carbazol-2-yl]phenyl]fluoren-3-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-7H-indeno[2,1-b]carbazol-2-yl]phenyl]fluoren-3-amine has a molecular weight of 843.09 g/mol, XLogP of 17.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[5-(4-phenylphenyl)-7H-indeno[2,1-b]carbazol-2-yl]phenyl]fluoren-3-amine is sourced from PubChem (CID 154935118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).