N-(9,9-dimethylfluoren-4-yl)-4-(8-phenylbenzo[a]carbazol-11-yl)-N-(4-phenylphenyl)quinazolin-2-amine

C57H40N4 — CID 146369088

IUPACN-(9,9-dimethylfluoren-4-yl)-4-(8-phenylbenzo[a]carbazol-11-yl)-N-(4-phenylphenyl)quinazolin-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3nc(-n4c5ccc(-c6ccccc6)cc5c5ccc6ccccc6c54)c4ccccc4n3)cccc21
InChIInChI=1S/C57H40N4/c1-57(2)48-24-13-11-22-45(48)53-49(57)25-15-27-52(53)60(42-32-28-39(29-33-42)37-16-5-3-6-17-37)56-58-50-26-14-12-23-46(50)55(59-56)61-51-35-31-41(38-18-7-4-8-19-38)36-47(51)44-34-30-40-20-9-10-21-43(40)54(44)61/h3-36H,1-2H3
InChIKeyNFLSFSODYISQGE-UHFFFAOYSA-N
MW780.98 g/mol
LogP14.99
Rot. Bonds6

About N-(9,9-dimethylfluoren-4-yl)-4-(8-phenylbenzo[a]carbazol-11-yl)-N-(4-phenylphenyl)quinazolin-2-amine

N-(9,9-dimethylfluoren-4-yl)-4-(8-phenylbenzo[a]carbazol-11-yl)-N-(4-phenylphenyl)quinazolin-2-amine (PubChem CID 146369088) has the molecular formula C57H40N4 and a molecular weight of 780.98 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-4-(8-phenylbenzo[a]carbazol-11-yl)-N-(4-phenylphenyl)quinazolin-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-4-(8-phenylbenzo[a]carbazol-11-yl)-N-(4-phenylphenyl)quinazolin-2-amine
PubChem CID146369088
Molecular FormulaC57H40N4
Molecular Weight780.98 g/mol
Exact Mass780.33
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-4-(8-phenylbenzo[a]carbazol-11-yl)-N-(4-phenylphenyl)quinazolin-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3nc(-n4c5ccc(-c6ccccc6)cc5c5ccc6ccccc6c54)c4ccccc4n3)cccc21
InChIInChI=1S/C57H40N4/c1-57(2)48-24-13-11-22-45(48)53-49(57)25-15-27-52(53)60(42-32-28-39(29-33-42)37-16-5-3-6-17-37)56-58-50-26-14-12-23-46(50)55(59-56)61-51-35-31-41(38-18-7-4-8-19-38)36-47(51)44-34-30-40-20-9-10-21-43(40)54(44)61/h3-36H,1-2H3
InChIKeyNFLSFSODYISQGE-UHFFFAOYSA-N
XLogP14.99
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.98
LogP ≤ 514.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)-4-(24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)quinazolin-2-amine
CID 142427201
4-([1]benzofuro[2,3-b]carbazol-7-yl)-N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)quinazolin-2-amine
CID 142427179
9,9-dimethyl-N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 166956437
N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-phenylfluoren-4-amine
CID 167184501
N-(9,9-dimethylfluoren-4-yl)-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N-(4-phenylphenyl)quinazolin-4-amine
CID 142427212
9,9-dimethyl-N-[4-(16-oxa-1-azahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17,19,21-undecaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 153305759
N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 167222274
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(20-phenyl-3,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,4,6,8,10,12,14(19),15,17-nonaen-16-yl)phenyl]fluoren-4-amine
CID 157461439
9,9-dimethyl-N-(4-phenanthren-2-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789148
N-(4-chrysen-6-ylphenyl)-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 170139279
N-[4-[9-(9,9-dimethylfluoren-2-yl)-6-[4-(N-naphthalen-1-ylanilino)phenyl]carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 137467185

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-4-(8-phenylbenzo[a]carbazol-11-yl)-N-(4-phenylphenyl)quinazolin-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-4-(8-phenylbenzo[a]carbazol-11-yl)-N-(4-phenylphenyl)quinazolin-2-amine (CID 146369088) is N-(9,9-dimethylfluoren-4-yl)-4-(8-phenylbenzo[a]carbazol-11-yl)-N-(4-phenylphenyl)quinazolin-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-4-(8-phenylbenzo[a]carbazol-11-yl)-N-(4-phenylphenyl)quinazolin-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-4-(8-phenylbenzo[a]carbazol-11-yl)-N-(4-phenylphenyl)quinazolin-2-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3nc(-n4c5ccc(-c6ccccc6)cc5c5ccc6ccccc6c54)c4ccccc4n3)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-4-(8-phenylbenzo[a]carbazol-11-yl)-N-(4-phenylphenyl)quinazolin-2-amine?
The InChIKey is NFLSFSODYISQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N4/c1-57(2)48-24-13-11-22-45(48)53-49(57)25-15-27-52(53)60(42-32-28-39(29-33-42)37-16-5-3-6-17-37)56-58-50-26-14-12-23-46(50)55(59-56)61-51-35-31-41(38-18-7-4-8-19-38)36-47(51)44-34-30-40-20-9-10-21-43(40)54(44)61/h3-36H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-4-(8-phenylbenzo[a]carbazol-11-yl)-N-(4-phenylphenyl)quinazolin-2-amine?
N-(9,9-dimethylfluoren-4-yl)-4-(8-phenylbenzo[a]carbazol-11-yl)-N-(4-phenylphenyl)quinazolin-2-amine has a molecular weight of 780.98 g/mol, XLogP of 14.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-4-(8-phenylbenzo[a]carbazol-11-yl)-N-(4-phenylphenyl)quinazolin-2-amine is sourced from PubChem (CID 146369088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).