8-benzo[c]carbazol-7-yl-5-[3-(4-fluoranthen-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole

C66H38N4 — CID 146374843

IUPAC8-benzo[c]carbazol-7-yl-5-[3-(4-fluoranthen-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc2c(c1)-c1cccc3c(-c4nc(-c5cc(-n6c7ccccc7c7cc8ccc(-n9c%10ccccc%10c%10c%11ccccc%11ccc%109)cc8cc76)c6ccccc6c5)nc5ccccc45)ccc-2c13
InChIInChI=1S/C66H38N4/c1-4-17-46-39(14-1)29-33-60-64(46)55-22-9-12-27-59(55)69(60)44-30-28-40-36-56-49-20-8-11-26-58(49)70(62(56)37-42(40)35-44)61-38-43(34-41-15-2-3-16-45(41)61)66-67-57-25-10-7-21-54(57)65(68-66)53-32-31-52-48-19-6-5-18-47(48)50-23-13-24-51(53)63(50)52/h1-38H
InChIKeyMVHDEBUJKQCJSW-UHFFFAOYSA-N
MW887.06 g/mol
LogP17.42
Rot. Bonds4

About 8-benzo[c]carbazol-7-yl-5-[3-(4-fluoranthen-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole

8-benzo[c]carbazol-7-yl-5-[3-(4-fluoranthen-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole (PubChem CID 146374843) has the molecular formula C66H38N4 and a molecular weight of 887.06 g/mol. Its IUPAC name is 8-benzo[c]carbazol-7-yl-5-[3-(4-fluoranthen-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name8-benzo[c]carbazol-7-yl-5-[3-(4-fluoranthen-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
PubChem CID146374843
Molecular FormulaC66H38N4
Molecular Weight887.06 g/mol
Exact Mass886.31
IUPAC Name8-benzo[c]carbazol-7-yl-5-[3-(4-fluoranthen-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc2c(c1)-c1cccc3c(-c4nc(-c5cc(-n6c7ccccc7c7cc8ccc(-n9c%10ccccc%10c%10c%11ccccc%11ccc%109)cc8cc76)c6ccccc6c5)nc5ccccc45)ccc-2c13
InChIInChI=1S/C66H38N4/c1-4-17-46-39(14-1)29-33-60-64(46)55-22-9-12-27-59(55)69(60)44-30-28-40-36-56-49-20-8-11-26-58(49)70(62(56)37-42(40)35-44)61-38-43(34-41-15-2-3-16-45(41)61)66-67-57-25-10-7-21-54(57)65(68-66)53-32-31-52-48-19-6-5-18-47(48)50-23-13-24-51(53)63(50)52/h1-38H
InChIKeyMVHDEBUJKQCJSW-UHFFFAOYSA-N
XLogP17.42
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.06
LogP ≤ 517.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-benzo[c]carbazol-7-yl-5-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole
CID 146374669
2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole
CID 160512960
9-benzo[c]carbazol-7-yl-5-[4-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole;1-benzo[c]carbazol-7-yl-5-[5-(3-triphenylen-2-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 158148943
2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 146375622
8-benzo[c]carbazol-7-yl-5-[6-(3-phenanthren-3-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375225
1-benzo[c]carbazol-7-yl-5-[4-[2-(3,5-diphenylphenyl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146375191
3-benzo[c]carbazol-7-yl-5-[5-(3-phenanthren-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375849
8-benzo[b]carbazol-5-yl-5-[6-(3-fluoranthen-3-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 146375358
16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-12-naphthalen-2-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 138654458
12-[4-(2-naphthalen-2-ylquinazolin-4-yl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 139361746
9-benzo[c]carbazol-7-yl-5-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146375007
2-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;10-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-7-phenylbenzo[c]carbazole;9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159571919

Frequently Asked Questions

What is the IUPAC name of 8-benzo[c]carbazol-7-yl-5-[3-(4-fluoranthen-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 8-benzo[c]carbazol-7-yl-5-[3-(4-fluoranthen-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole (CID 146374843) is 8-benzo[c]carbazol-7-yl-5-[3-(4-fluoranthen-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 8-benzo[c]carbazol-7-yl-5-[3-(4-fluoranthen-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 8-benzo[c]carbazol-7-yl-5-[3-(4-fluoranthen-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole is c1ccc2c(c1)-c1cccc3c(-c4nc(-c5cc(-n6c7ccccc7c7cc8ccc(-n9c%10ccccc%10c%10c%11ccccc%11ccc%109)cc8cc76)c6ccccc6c5)nc5ccccc45)ccc-2c13.
What is the InChIKey of 8-benzo[c]carbazol-7-yl-5-[3-(4-fluoranthen-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is MVHDEBUJKQCJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38N4/c1-4-17-46-39(14-1)29-33-60-64(46)55-22-9-12-27-59(55)69(60)44-30-28-40-36-56-49-20-8-11-26-58(49)70(62(56)37-42(40)35-44)61-38-43(34-41-15-2-3-16-45(41)61)66-67-57-25-10-7-21-54(57)65(68-66)53-32-31-52-48-19-6-5-18-47(48)50-23-13-24-51(53)63(50)52/h1-38H.
What are the key properties of 8-benzo[c]carbazol-7-yl-5-[3-(4-fluoranthen-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole?
8-benzo[c]carbazol-7-yl-5-[3-(4-fluoranthen-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 887.06 g/mol, XLogP of 17.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzo[c]carbazol-7-yl-5-[3-(4-fluoranthen-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 146374843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).