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

C58H35N5 — CID 162481241

IUPAC10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccc(-n7c8ccccc8c8c9ccccc9ccc87)cc6c6c7ccccc7ccc65)nc5ccccc45)cc32)cc1
InChIInChI=1S/C58H35N5/c1-2-16-39(17-3-1)61-49-24-12-9-20-43(49)44-30-26-38(34-54(44)61)57-45-21-8-11-23-48(45)59-58(60-57)63-51-33-29-40(35-47(51)56-42-19-7-5-15-37(42)28-32-53(56)63)62-50-25-13-10-22-46(50)55-41-18-6-4-14-36(41)27-31-52(55)62/h1-35H
InChIKeyCYDJISKGODATOD-UHFFFAOYSA-N
MW801.95 g/mol
LogP14.89
Rot. Bonds4

About 10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole

10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole (PubChem CID 162481241) has the molecular formula C58H35N5 and a molecular weight of 801.95 g/mol. Its IUPAC name is 10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
PubChem CID162481241
Molecular FormulaC58H35N5
Molecular Weight801.95 g/mol
Exact Mass801.29
IUPAC Name10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccc(-n7c8ccccc8c8c9ccccc9ccc87)cc6c6c7ccccc7ccc65)nc5ccccc45)cc32)cc1
InChIInChI=1S/C58H35N5/c1-2-16-39(17-3-1)61-49-24-12-9-20-43(49)44-30-26-38(34-54(44)61)57-45-21-8-11-23-48(45)59-58(60-57)63-51-33-29-40(35-47(51)56-42-19-7-5-15-37(42)28-32-53(56)63)62-50-25-13-10-22-46(50)55-41-18-6-4-14-36(41)27-31-52(55)62/h1-35H
InChIKeyCYDJISKGODATOD-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

9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481400
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-(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
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
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
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
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
3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375569
7-(4-phenylphenyl)-10-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole;7-(4-phenylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 165103211
2-benzo[a]carbazol-11-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 131979682
9-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481266
10-carbazol-9-yl-7-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[c]carbazole
CID 162481431

Frequently Asked Questions

What is the IUPAC name of 10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole?
The IUPAC name of 10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole (CID 162481241) is 10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole?
The canonical SMILES for 10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccc(-n7c8ccccc8c8c9ccccc9ccc87)cc6c6c7ccccc7ccc65)nc5ccccc45)cc32)cc1.
What is the InChIKey of 10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole?
The InChIKey is CYDJISKGODATOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N5/c1-2-16-39(17-3-1)61-49-24-12-9-20-43(49)44-30-26-38(34-54(44)61)57-45-21-8-11-23-48(45)59-58(60-57)63-51-33-29-40(35-47(51)56-42-19-7-5-15-37(42)28-32-53(56)63)62-50-25-13-10-22-46(50)55-41-18-6-4-14-36(41)27-31-52(55)62/h1-35H.
What are the key properties of 10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole?
10-benzo[c]carbazol-7-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 10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 162481241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).