N-[4-[9-(2,5-dimethylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine

C53H42N2 — CID 135163353

IUPACN-[4-[9-(2,5-dimethylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
SMILESCc1ccc(C)c(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5-c5ccccc5)cc4)ccc32)c1
InChIInChI=1S/C53H42N2/c1-35-22-23-36(2)52(32-35)55-50-21-13-10-18-45(50)46-33-39(26-31-51(46)55)37-24-27-40(28-25-37)54(49-20-12-9-16-42(49)38-14-6-5-7-15-38)41-29-30-44-43-17-8-11-19-47(43)53(3,4)48(44)34-41/h5-34H,1-4H3
InChIKeyKJNCKGDFTWSSBI-UHFFFAOYSA-N
MW706.93 g/mol
LogP14.51
Rot. Bonds6

About N-[4-[9-(2,5-dimethylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine

N-[4-[9-(2,5-dimethylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine (PubChem CID 135163353) has the molecular formula C53H42N2 and a molecular weight of 706.93 g/mol. Its IUPAC name is N-[4-[9-(2,5-dimethylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[9-(2,5-dimethylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
PubChem CID135163353
Molecular FormulaC53H42N2
Molecular Weight706.93 g/mol
Exact Mass706.33
IUPAC NameN-[4-[9-(2,5-dimethylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
SMILESCc1ccc(C)c(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5-c5ccccc5)cc4)ccc32)c1
InChIInChI=1S/C53H42N2/c1-35-22-23-36(2)52(32-35)55-50-21-13-10-18-45(50)46-33-39(26-31-51(46)55)37-24-27-40(28-25-37)54(49-20-12-9-16-42(49)38-14-6-5-7-15-38)41-29-30-44-43-17-8-11-19-47(43)53(3,4)48(44)34-41/h5-34H,1-4H3
InChIKeyKJNCKGDFTWSSBI-UHFFFAOYSA-N
XLogP14.51
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.93
LogP ≤ 514.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-[9-[7-(3,5-dimethylphenyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158799608
N-[4-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 155472317
N-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 155472228
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-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline
CID 167527111
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 71175461
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-methylphenyl)-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-amine
CID 59171796
N-[2-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 118087782
9,9-dimethyl-N-[4-[6-(6-methyl-9-phenylcarbazol-3-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-ylfluoren-2-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 160882230
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]fluoren-2-amine
CID 158211365
4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine
CID 59171720
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(2,5-dimethylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[9-(2,5-dimethylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine (CID 135163353) is N-[4-[9-(2,5-dimethylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[9-(2,5-dimethylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[9-(2,5-dimethylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine is Cc1ccc(C)c(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5-c5ccccc5)cc4)ccc32)c1.
What is the InChIKey of N-[4-[9-(2,5-dimethylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is KJNCKGDFTWSSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42N2/c1-35-22-23-36(2)52(32-35)55-50-21-13-10-18-45(50)46-33-39(26-31-51(46)55)37-24-27-40(28-25-37)54(49-20-12-9-16-42(49)38-14-6-5-7-15-38)41-29-30-44-43-17-8-11-19-47(43)53(3,4)48(44)34-41/h5-34H,1-4H3.
What are the key properties of N-[4-[9-(2,5-dimethylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
N-[4-[9-(2,5-dimethylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine has a molecular weight of 706.93 g/mol, XLogP of 14.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(2,5-dimethylphenyl)carbazol-3-yl]phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 135163353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).