7-[4-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]quinazolin-2-yl]benzo[c]carbazole

C50H34N4 — CID 71109046

IUPAC7-[4-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]quinazolin-2-yl]benzo[c]carbazole
SMILESCc1cc(-c2nc(-n3c4ccccc4c4c5ccccc5ccc43)nc3ccccc23)c(C)cc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C50H34N4/c1-31-29-41(32(2)28-40(31)34-25-26-46-42(30-34)37-18-9-12-22-44(37)53(46)35-15-4-3-5-16-35)49-38-19-8-11-21-43(38)51-50(52-49)54-45-23-13-10-20-39(45)48-36-17-7-6-14-33(36)24-27-47(48)54/h3-30H,1-2H3
InChIKeyUGHGQRVJUURCJH-UHFFFAOYSA-N
MW690.85 g/mol
LogP12.93
Rot. Bonds4

About 7-[4-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]quinazolin-2-yl]benzo[c]carbazole

7-[4-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]quinazolin-2-yl]benzo[c]carbazole (PubChem CID 71109046) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is 7-[4-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]quinazolin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[4-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]quinazolin-2-yl]benzo[c]carbazole
PubChem CID71109046
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC Name7-[4-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]quinazolin-2-yl]benzo[c]carbazole
SMILESCc1cc(-c2nc(-n3c4ccccc4c4c5ccccc5ccc43)nc3ccccc23)c(C)cc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C50H34N4/c1-31-29-41(32(2)28-40(31)34-25-26-46-42(30-34)37-18-9-12-22-44(37)53(46)35-15-4-3-5-16-35)49-38-19-8-11-21-43(38)51-50(52-49)54-45-23-13-10-20-39(45)48-36-17-7-6-14-33(36)24-27-47(48)54/h3-30H,1-2H3
InChIKeyUGHGQRVJUURCJH-UHFFFAOYSA-N
XLogP12.93
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
7-[4-(6,9-diphenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole;7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole;7-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole
CID 158696637
5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 71109304
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
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
10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481241
9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481400
7-(4-tert-butylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 147850713
7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 71109103

Frequently Asked Questions

What is the IUPAC name of 7-[4-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]quinazolin-2-yl]benzo[c]carbazole?
The IUPAC name of 7-[4-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]quinazolin-2-yl]benzo[c]carbazole (CID 71109046) is 7-[4-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]quinazolin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[4-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]quinazolin-2-yl]benzo[c]carbazole?
The canonical SMILES for 7-[4-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]quinazolin-2-yl]benzo[c]carbazole is Cc1cc(-c2nc(-n3c4ccccc4c4c5ccccc5ccc43)nc3ccccc23)c(C)cc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 7-[4-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]quinazolin-2-yl]benzo[c]carbazole?
The InChIKey is UGHGQRVJUURCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-31-29-41(32(2)28-40(31)34-25-26-46-42(30-34)37-18-9-12-22-44(37)53(46)35-15-4-3-5-16-35)49-38-19-8-11-21-43(38)51-50(52-49)54-45-23-13-10-20-39(45)48-36-17-7-6-14-33(36)24-27-47(48)54/h3-30H,1-2H3.
What are the key properties of 7-[4-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]quinazolin-2-yl]benzo[c]carbazole?
7-[4-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]quinazolin-2-yl]benzo[c]carbazole has a molecular weight of 690.85 g/mol, XLogP of 12.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]quinazolin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 71109046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).