9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole

C58H35N5 — CID 162481400

IUPAC9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6cc(-n7c8ccccc8c8cc9ccccc9cc87)ccc6c6c7ccccc7ccc65)nc5ccccc45)cc32)cc1
InChIInChI=1S/C58H35N5/c1-2-17-40(18-3-1)61-50-24-12-9-20-43(50)45-29-26-39(34-53(45)61)57-46-22-8-11-23-49(46)59-58(60-57)63-52-31-27-36-14-6-7-19-42(36)56(52)47-30-28-41(35-55(47)63)62-51-25-13-10-21-44(51)48-32-37-15-4-5-16-38(37)33-54(48)62/h1-35H
InChIKeyMUEAUSHWEFOQGO-UHFFFAOYSA-N
MW801.95 g/mol
LogP14.89
Rot. Bonds4

About 9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole

9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole (PubChem CID 162481400) has the molecular formula C58H35N5 and a molecular weight of 801.95 g/mol. Its IUPAC name is 9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
PubChem CID162481400
Molecular FormulaC58H35N5
Molecular Weight801.95 g/mol
Exact Mass801.29
IUPAC Name9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6cc(-n7c8ccccc8c8cc9ccccc9cc87)ccc6c6c7ccccc7ccc65)nc5ccccc45)cc32)cc1
InChIInChI=1S/C58H35N5/c1-2-17-40(18-3-1)61-50-24-12-9-20-43(50)45-29-26-39(34-53(45)61)57-46-22-8-11-23-49(46)59-58(60-57)63-52-31-27-36-14-6-7-19-42(36)56(52)47-30-28-41(35-55(47)63)62-51-25-13-10-21-44(51)48-32-37-15-4-5-16-38(37)33-54(48)62/h1-35H
InChIKeyMUEAUSHWEFOQGO-UHFFFAOYSA-N
XLogP14.89
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.95
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375569
10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481241
3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 166956013
9-benzo[a]carbazol-11-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole;9-benzo[a]carbazol-11-yl-7-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[c]carbazole
CID 163508153
22-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597887
12-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 139361712
12-[4-(9-phenylcarbazol-2-yl)quinazolin-2-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 129149729
12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-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 71109102
2-benzo[c]carbazol-7-yl-5-[4-(3,5-diphenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375215
9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481266
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
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

Frequently Asked Questions

What is the IUPAC name of 9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole?
The IUPAC name of 9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole (CID 162481400) is 9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole?
The canonical SMILES for 9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6cc(-n7c8ccccc8c8cc9ccccc9cc87)ccc6c6c7ccccc7ccc65)nc5ccccc45)cc32)cc1.
What is the InChIKey of 9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole?
The InChIKey is MUEAUSHWEFOQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N5/c1-2-17-40(18-3-1)61-50-24-12-9-20-43(50)45-29-26-39(34-53(45)61)57-46-22-8-11-23-49(46)59-58(60-57)63-52-31-27-36-14-6-7-19-42(36)56(52)47-30-28-41(35-55(47)63)62-51-25-13-10-21-44(51)48-32-37-15-4-5-16-38(37)33-54(48)62/h1-35H.
What are the key properties of 9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole?
9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole has a molecular weight of 801.95 g/mol, XLogP of 14.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 162481400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).