5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole

C48H30N4 — CID 138623408

IUPAC5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4cccc5ccccc45)nc4ccccc34)cc2)cc1
InChIInChI=1S/C48H30N4/c1-2-13-31(14-3-1)32-25-27-34(28-26-32)47-38-20-6-9-21-41(38)49-48(50-47)52-44-23-11-8-19-37(44)40-29-45-39(30-46(40)52)36-18-7-10-22-43(36)51(45)42-24-12-16-33-15-4-5-17-35(33)42/h1-30H
InChIKeyJLACZCIEMVKPKO-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.31
Rot. Bonds4

About 5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole

5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole (PubChem CID 138623408) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole
PubChem CID138623408
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4cccc5ccccc45)nc4ccccc34)cc2)cc1
InChIInChI=1S/C48H30N4/c1-2-13-31(14-3-1)32-25-27-34(28-26-32)47-38-20-6-9-21-41(38)49-48(50-47)52-44-23-11-8-19-37(44)40-29-45-39(30-46(40)52)36-18-7-10-22-43(36)51(45)42-24-12-16-33-15-4-5-17-35(33)42/h1-30H
InChIKeyJLACZCIEMVKPKO-UHFFFAOYSA-N
XLogP12.31
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 155114247
7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 71109103
5-naphthalen-1-yl-30-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
CID 144681365
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 138623405
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146375444
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
10-naphthalen-1-yl-20-(4-phenylquinazolin-2-yl)-15-thia-10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
CID 118242883
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
3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375569
9-naphthalen-1-yl-2-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087212

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole?
The IUPAC name of 5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole (CID 138623408) is 5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole.
What is the SMILES notation for 5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole?
The canonical SMILES for 5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4cccc5ccccc45)nc4ccccc34)cc2)cc1.
What is the InChIKey of 5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole?
The InChIKey is JLACZCIEMVKPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-2-13-31(14-3-1)32-25-27-34(28-26-32)47-38-20-6-9-21-41(38)49-48(50-47)52-44-23-11-8-19-37(44)40-29-45-39(30-46(40)52)36-18-7-10-22-43(36)51(45)42-24-12-16-33-15-4-5-17-35(33)42/h1-30H.
What are the key properties of 5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole?
5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole has a molecular weight of 662.80 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole is sourced from PubChem (CID 138623408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).