N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline

C51H38N2 — CID 170138074

IUPACN-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3ccccc3)c3ccccc3-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C51H38N2/c1-51(2)42-27-11-6-25-41(42)50-40(26-18-28-43(50)51)39-24-10-15-32-47(39)52(44-29-12-7-21-36(44)35-19-4-3-5-20-35)48-33-16-17-34-49(48)53-45-30-13-8-22-37(45)38-23-9-14-31-46(38)53/h3-34H,1-2H3
InChIKeySPTLQXNULDCYQR-UHFFFAOYSA-N
MW678.88 g/mol
LogP13.89
Rot. Bonds6

About N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline

N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline (PubChem CID 170138074) has the molecular formula C51H38N2 and a molecular weight of 678.88 g/mol. Its IUPAC name is N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline.

Molecular Properties

Compound NameN-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
PubChem CID170138074
Molecular FormulaC51H38N2
Molecular Weight678.88 g/mol
Exact Mass678.30
IUPAC NameN-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3ccccc3)c3ccccc3-n3c4ccccc4c4ccccc43)cccc21
InChIInChI=1S/C51H38N2/c1-51(2)42-27-11-6-25-41(42)50-40(26-18-28-43(50)51)39-24-10-15-32-47(39)52(44-29-12-7-21-36(44)35-19-4-3-5-20-35)48-33-16-17-34-49(48)53-45-30-13-8-22-37(45)38-23-9-14-31-46(38)53/h3-34H,1-2H3
InChIKeySPTLQXNULDCYQR-UHFFFAOYSA-N
XLogP13.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.88
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-1-amine
CID 170138083
N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170138007
N-(2-carbazol-9-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 170138005
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline
CID 168790921
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine
CID 170304142
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 170137996
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline
CID 170137615
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146664841
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170139869
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304270
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135166356
13,13-dimethyl-N,N-bis(2-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70892943

Frequently Asked Questions

What is the IUPAC name of N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline?
The IUPAC name of N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline (CID 170138074) is N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline.
What is the SMILES notation for N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline?
The canonical SMILES for N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccccc3-c3ccccc3)c3ccccc3-n3c4ccccc4c4ccccc43)cccc21.
What is the InChIKey of N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline?
The InChIKey is SPTLQXNULDCYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2/c1-51(2)42-27-11-6-25-41(42)50-40(26-18-28-43(50)51)39-24-10-15-32-47(39)52(44-29-12-7-21-36(44)35-19-4-3-5-20-35)48-33-16-17-34-49(48)53-45-30-13-8-22-37(45)38-23-9-14-31-46(38)53/h3-34H,1-2H3.
What are the key properties of N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline?
N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline has a molecular weight of 678.88 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbazol-9-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline is sourced from PubChem (CID 170138074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).