9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole

C66H42N4 — CID 154952578

IUPAC9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)c4cc(-n5c6cc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)ccc6c6c7ccccc7ccc65)ccc4n3)cc2)cc1
InChIInChI=1S/C66H42N4/c1-4-16-43(17-5-1)45-30-32-47(33-31-45)66-67-59-38-36-52(42-58(59)64(68-66)50-22-14-21-48(40-50)44-18-6-2-7-19-44)69-61-39-35-46-20-10-11-25-53(46)63(61)57-37-34-49(41-62(57)69)54-27-15-28-56-55-26-12-13-29-60(55)70(65(54)56)51-23-8-3-9-24-51/h1-42H
InChIKeyXTWGWCRJTYHVEC-UHFFFAOYSA-N
MW891.09 g/mol
LogP17.31
Rot. Bonds7

About 9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole

9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole (PubChem CID 154952578) has the molecular formula C66H42N4 and a molecular weight of 891.09 g/mol. Its IUPAC name is 9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole.

Molecular Properties

Compound Name9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole
PubChem CID154952578
Molecular FormulaC66H42N4
Molecular Weight891.09 g/mol
Exact Mass890.34
IUPAC Name9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)c4cc(-n5c6cc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)ccc6c6c7ccccc7ccc65)ccc4n3)cc2)cc1
InChIInChI=1S/C66H42N4/c1-4-16-43(17-5-1)45-30-32-47(33-31-45)66-67-59-38-36-52(42-58(59)64(68-66)50-22-14-21-48(40-50)44-18-6-2-7-19-44)69-61-39-35-46-20-10-11-25-53(46)63(61)57-37-34-49(41-62(57)69)54-27-15-28-56-55-26-12-13-29-60(55)70(65(54)56)51-23-8-3-9-24-51/h1-42H
InChIKeyXTWGWCRJTYHVEC-UHFFFAOYSA-N
XLogP17.31
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.09
LogP ≤ 517.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[3-(2,3-diphenylquinoxalin-5-yl)phenyl]-9-(9-phenylcarbazol-1-yl)benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole;9-(9-phenylcarbazol-1-yl)-7-(7-phenylquinoxalin-6-yl)benzo[c]carbazole
CID 159161950
11-phenyl-9-[4-phenyl-2-[4-(9-phenylcarbazol-4-yl)phenyl]quinazolin-6-yl]benzo[a]carbazole
CID 145158985
12-[2,4-bis(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-(2,4-diphenylquinazolin-6-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 159731421
14-phenyl-9-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;14-phenyl-9-(7-phenylquinoxalin-6-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;12-quinoxalin-6-yl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 159613181
9-[3-[2,6-bis[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 126630568
N-phenyl-N-(4-phenylphenyl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[g]carbazol-9-amine
CID 154952408
9-dibenzothiophen-4-yl-7-quinoxalin-6-ylbenzo[c]carbazole;12-(2,4-diphenylquinazolin-6-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;16-phenyl-12-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 160994373
9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
CID 160941783
11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole
CID 145158965
2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(3-phenylphenyl)benzo[h]quinazoline
CID 121402041
10-carbazol-9-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 161241392
2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-(3-phenylphenyl)benzo[h]quinazoline
CID 121402028

Frequently Asked Questions

What is the IUPAC name of 9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole?
The IUPAC name of 9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole (CID 154952578) is 9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole.
What is the SMILES notation for 9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole?
The canonical SMILES for 9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)c4cc(-n5c6cc(-c7cccc8c9ccccc9n(-c9ccccc9)c78)ccc6c6c7ccccc7ccc65)ccc4n3)cc2)cc1.
What is the InChIKey of 9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole?
The InChIKey is XTWGWCRJTYHVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N4/c1-4-16-43(17-5-1)45-30-32-47(33-31-45)66-67-59-38-36-52(42-58(59)64(68-66)50-22-14-21-48(40-50)44-18-6-2-7-19-44)69-61-39-35-46-20-10-11-25-53(46)63(61)57-37-34-49(41-62(57)69)54-27-15-28-56-55-26-12-13-29-60(55)70(65(54)56)51-23-8-3-9-24-51/h1-42H.
What are the key properties of 9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole?
9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole has a molecular weight of 891.09 g/mol, XLogP of 17.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-phenylcarbazol-1-yl)-7-[4-(3-phenylphenyl)-2-(4-phenylphenyl)quinazolin-6-yl]benzo[c]carbazole is sourced from PubChem (CID 154952578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).