9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine

C51H38N2 — CID 177080212

IUPAC9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C51H38N2/c1-51(2)46-25-12-9-21-42(46)43-33-32-39(34-47(43)51)52(48-26-13-10-20-40(48)35-16-5-3-6-17-35)38-30-28-36(29-31-38)41-23-15-24-45-44-22-11-14-27-49(44)53(50(41)45)37-18-7-4-8-19-37/h3-34H,1-2H3
InChIKeyQYJNZSQODJGMBH-UHFFFAOYSA-N
MW678.88 g/mol
LogP13.89
Rot. Bonds6

About 9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine (PubChem CID 177080212) has the molecular formula C51H38N2 and a molecular weight of 678.88 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
PubChem CID177080212
Molecular FormulaC51H38N2
Molecular Weight678.88 g/mol
Exact Mass678.30
IUPAC Name9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C51H38N2/c1-51(2)46-25-12-9-21-42(46)43-33-32-39(34-47(43)51)52(48-26-13-10-20-40(48)35-16-5-3-6-17-35)38-30-28-36(29-31-38)41-23-15-24-45-44-22-11-14-27-49(44)53(50(41)45)37-18-7-4-8-19-37/h3-34H,1-2H3
InChIKeyQYJNZSQODJGMBH-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

9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168790284
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine
CID 139568156
3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170666044
9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine
CID 118505806
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[4-(1-phenylcarbazol-9-yl)phenyl]phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[4-(4-phenylcarbazol-9-yl)phenyl]phenyl]fluoren-2-amine
CID 158052974
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789606
4-[9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-1-yl]-N,N-diphenylaniline
CID 118550539
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
CID 170119634
N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170112904
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2-(4-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]-3'-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[2-(4-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]-3'-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2-(4-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]-3'-amine
CID 161348172
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 129312013
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine (CID 177080212) is 9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is QYJNZSQODJGMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2/c1-51(2)46-25-12-9-21-42(46)43-33-32-39(34-47(43)51)52(48-26-13-10-20-40(48)35-16-5-3-6-17-35)38-30-28-36(29-31-38)41-23-15-24-45-44-22-11-14-27-49(44)53(50(41)45)37-18-7-4-8-19-37/h3-34H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine 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 9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 177080212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).