4-([1]benzofuro[2,3-b]carbazol-7-yl)-N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)quinazolin-2-amine

C53H36N4O — CID 142427179

IUPAC4-([1]benzofuro[2,3-b]carbazol-7-yl)-N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)quinazolin-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3nc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c4ccccc4n3)cccc21
InChIInChI=1S/C53H36N4O/c1-53(2)42-21-10-6-19-38(42)50-43(53)22-14-25-46(50)56(35-29-27-34(28-30-35)33-15-4-3-5-16-33)52-54-44-23-11-7-20-39(44)51(55-52)57-45-24-12-8-17-36(45)40-31-41-37-18-9-13-26-48(37)58-49(41)32-47(40)57/h3-32H,1-2H3
InChIKeyHKVMKKCPXQHSEE-UHFFFAOYSA-N
MW744.90 g/mol
LogP14.07
Rot. Bonds5

About 4-([1]benzofuro[2,3-b]carbazol-7-yl)-N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)quinazolin-2-amine

4-([1]benzofuro[2,3-b]carbazol-7-yl)-N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)quinazolin-2-amine (PubChem CID 142427179) has the molecular formula C53H36N4O and a molecular weight of 744.90 g/mol. Its IUPAC name is 4-([1]benzofuro[2,3-b]carbazol-7-yl)-N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name4-([1]benzofuro[2,3-b]carbazol-7-yl)-N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)quinazolin-2-amine
PubChem CID142427179
Molecular FormulaC53H36N4O
Molecular Weight744.90 g/mol
Exact Mass744.29
IUPAC Name4-([1]benzofuro[2,3-b]carbazol-7-yl)-N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)quinazolin-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3nc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c4ccccc4n3)cccc21
InChIInChI=1S/C53H36N4O/c1-53(2)42-21-10-6-19-38(42)50-43(53)22-14-25-46(50)56(35-29-27-34(28-30-35)33-15-4-3-5-16-33)52-54-44-23-11-7-20-39(44)51(55-52)57-45-24-12-8-17-36(45)40-31-41-37-18-9-13-26-48(37)58-49(41)32-47(40)57/h3-32H,1-2H3
InChIKeyHKVMKKCPXQHSEE-UHFFFAOYSA-N
XLogP14.07
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.90
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-4-(8-phenylbenzo[a]carbazol-11-yl)-N-(4-phenylphenyl)quinazolin-2-amine
CID 146369088
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-amine
CID 171727025
N-(4-dibenzofuran-4-ylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine;7-[9-(4-phenylquinazolin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]carbazole
CID 164974326
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
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-4-phenylquinazolin-2-amine
CID 142427071
N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 165103115
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
7-[2-(9,9'-spirobi[fluorene]-4'-yl)quinazolin-4-yl]-[1]benzofuro[2,3-b]carbazole
CID 126536578
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-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
N-dibenzofuran-3-yl-4-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-amine
CID 171726933
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 134380599

Frequently Asked Questions

What is the IUPAC name of 4-([1]benzofuro[2,3-b]carbazol-7-yl)-N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)quinazolin-2-amine?
The IUPAC name of 4-([1]benzofuro[2,3-b]carbazol-7-yl)-N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)quinazolin-2-amine (CID 142427179) is 4-([1]benzofuro[2,3-b]carbazol-7-yl)-N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)quinazolin-2-amine.
What is the SMILES notation for 4-([1]benzofuro[2,3-b]carbazol-7-yl)-N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)quinazolin-2-amine?
The canonical SMILES for 4-([1]benzofuro[2,3-b]carbazol-7-yl)-N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)quinazolin-2-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3nc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c4ccccc4n3)cccc21.
What is the InChIKey of 4-([1]benzofuro[2,3-b]carbazol-7-yl)-N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)quinazolin-2-amine?
The InChIKey is HKVMKKCPXQHSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N4O/c1-53(2)42-21-10-6-19-38(42)50-43(53)22-14-25-46(50)56(35-29-27-34(28-30-35)33-15-4-3-5-16-33)52-54-44-23-11-7-20-39(44)51(55-52)57-45-24-12-8-17-36(45)40-31-41-37-18-9-13-26-48(37)58-49(41)32-47(40)57/h3-32H,1-2H3.
What are the key properties of 4-([1]benzofuro[2,3-b]carbazol-7-yl)-N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)quinazolin-2-amine?
4-([1]benzofuro[2,3-b]carbazol-7-yl)-N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)quinazolin-2-amine has a molecular weight of 744.90 g/mol, XLogP of 14.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1]benzofuro[2,3-b]carbazol-7-yl)-N-(9,9-dimethylfluoren-4-yl)-N-(4-phenylphenyl)quinazolin-2-amine is sourced from PubChem (CID 142427179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).