9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]fluoren-2-amine

C53H38N4 — CID 164807901

IUPAC9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c5c4)cc3)cc21
InChIInChI=1S/C53H38N4/c1-53(2)46-22-12-9-19-41(46)42-32-30-40(34-47(42)53)56(38-17-7-4-8-18-38)39-28-25-35(26-29-39)37-27-31-44-43-20-11-14-24-49(43)57(50(44)33-37)52-54-48-23-13-10-21-45(48)51(55-52)36-15-5-3-6-16-36/h3-34H,1-2H3
InChIKeyZGDKPDINBKBKSH-UHFFFAOYSA-N
MW730.92 g/mol
LogP13.84
Rot. Bonds6

About 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]fluoren-2-amine

9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]fluoren-2-amine (PubChem CID 164807901) has the molecular formula C53H38N4 and a molecular weight of 730.92 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]fluoren-2-amine
PubChem CID164807901
Molecular FormulaC53H38N4
Molecular Weight730.92 g/mol
Exact Mass730.31
IUPAC Name9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c5c4)cc3)cc21
InChIInChI=1S/C53H38N4/c1-53(2)46-22-12-9-19-41(46)42-32-30-40(34-47(42)53)56(38-17-7-4-8-18-38)39-28-25-35(26-29-39)37-27-31-44-43-20-11-14-24-49(43)57(50(44)33-37)52-54-48-23-13-10-21-45(48)51(55-52)36-15-5-3-6-16-36/h3-34H,1-2H3
InChIKeyZGDKPDINBKBKSH-UHFFFAOYSA-N
XLogP13.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.92
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 129312343
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712
4-[9-(7,7-dimethylbenzo[e]perimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 149318633
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
7-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-N,N-diphenylaniline;N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 158366689
16,16-dimethyl-10-(4-phenylquinazolin-2-yl)-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene
CID 122464915
N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]phenyl]-9,9-dimethylfluoren-2-amine
CID 177287627
9-[4-(9,9-dimethylfluoren-2-yl)-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742742
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
5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 146874125
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]fluoren-2-amine (CID 164807901) is 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c5c4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]fluoren-2-amine?
The InChIKey is ZGDKPDINBKBKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N4/c1-53(2)46-22-12-9-19-41(46)42-32-30-40(34-47(42)53)56(38-17-7-4-8-18-38)39-28-25-35(26-29-39)37-27-31-44-43-20-11-14-24-49(43)57(50(44)33-37)52-54-48-23-13-10-21-45(48)51(55-52)36-15-5-3-6-16-36/h3-34H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]fluoren-2-amine?
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]fluoren-2-amine has a molecular weight of 730.92 g/mol, XLogP of 13.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 164807901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).