11-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole

C58H35N5 — CID 146375682

IUPAC11-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccc9ccccc9c87)c7ccccc7cc65)c5ccccc5n4)ccc32)cc1
InChIInChI=1S/C58H35N5/c1-2-18-39(19-3-1)61-49-27-13-10-23-43(49)47-34-38(31-33-52(47)61)57-59-48-26-12-8-24-45(48)58(60-57)62-51-29-15-11-25-46(51)54-53(62)35-37-17-5-7-21-41(37)56(54)63-50-28-14-9-22-42(50)44-32-30-36-16-4-6-20-40(36)55(44)63/h1-35H
InChIKeyZJDRUQGIHZIGBU-UHFFFAOYSA-N
MW801.95 g/mol
LogP14.89
Rot. Bonds4

About 11-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole

11-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole (PubChem CID 146375682) has the molecular formula C58H35N5 and a molecular weight of 801.95 g/mol. Its IUPAC name is 11-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name11-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole
PubChem CID146375682
Molecular FormulaC58H35N5
Molecular Weight801.95 g/mol
Exact Mass801.29
IUPAC Name11-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccc9ccccc9c87)c7ccccc7cc65)c5ccccc5n4)ccc32)cc1
InChIInChI=1S/C58H35N5/c1-2-18-39(19-3-1)61-49-27-13-10-23-43(49)47-34-38(31-33-52(47)61)57-59-48-26-12-8-24-45(48)58(60-57)62-51-29-15-11-25-46(51)54-53(62)35-37-17-5-7-21-41(37)56(54)63-50-28-14-9-22-42(50)44-32-30-36-16-4-6-20-40(36)55(44)63/h1-35H
InChIKeyZJDRUQGIHZIGBU-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

11-benzo[a]carbazol-11-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 155477363
8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146375996
3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole
CID 126632833
2-benzo[a]carbazol-11-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole;2-benzo[a]carbazol-11-yl-5-[2-(4-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole;2-benzo[a]carbazol-11-yl-5-(2-phenylquinazolin-4-yl)benzo[b]carbazole
CID 157060055
3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146540884
4-carbazol-9-yl-9-phenyl-2-[9-(2-phenylquinazolin-4-yl)carbazol-3-yl]pyrimido[4,5-b]indole
CID 154514157
2-naphthalen-2-yl-5-[2-(7-phenylbenzo[c]carbazol-5-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146539916
2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole
CID 146375305
27-(2-naphthalen-2-ylquinazolin-4-yl)-12,27-diazaoctacyclo[17.10.1.02,11.05,10.012,30.013,18.020,28.021,26]triaconta-1(29),2(11),3,5,7,9,13,15,17,19(30),20(28),21,23,25-tetradecaene
CID 130258727
9-(2-phenanthren-3-ylquinazolin-4-yl)-9,19-diazaoctacyclo[17.10.1.02,10.03,8.012,30.013,18.020,29.023,28]triaconta-1(30),2(10),3,5,7,11,13,15,17,20(29),21,23,25,27-tetradecaene
CID 130259689
3-[2-(4-phenylphenyl)quinazolin-4-yl]-3,23-diazaoctacyclo[14.13.1.02,14.04,13.05,10.017,22.023,30.024,29]triaconta-1(30),2(14),4(13),5,7,9,11,15,17,19,21,24,26,28-tetradecaene
CID 130258381
11-phenyl-8-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)quinazolin-2-yl]phenyl]benzo[a]carbazole
CID 145158965

Frequently Asked Questions

What is the IUPAC name of 11-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole?
The IUPAC name of 11-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole (CID 146375682) is 11-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole.
What is the SMILES notation for 11-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole?
The canonical SMILES for 11-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccc9ccccc9c87)c7ccccc7cc65)c5ccccc5n4)ccc32)cc1.
What is the InChIKey of 11-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole?
The InChIKey is ZJDRUQGIHZIGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N5/c1-2-18-39(19-3-1)61-49-27-13-10-23-43(49)47-34-38(31-33-52(47)61)57-59-48-26-12-8-24-45(48)58(60-57)62-51-29-15-11-25-46(51)54-53(62)35-37-17-5-7-21-41(37)56(54)63-50-28-14-9-22-42(50)44-32-30-36-16-4-6-20-40(36)55(44)63/h1-35H.
What are the key properties of 11-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole?
11-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]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 11-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole is sourced from PubChem (CID 146375682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).