9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole

C50H32N4 — CID 90062784

IUPAC9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole
SMILESc1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C50H32N4/c1-2-13-38(14-3-1)53-30-29-37-31-48-44(32-47(37)53)42-16-7-9-20-46(42)54(48)39-27-25-36(26-28-39)50-51-45-19-8-6-17-43(45)49(52-50)35-23-21-34(22-24-35)41-18-10-12-33-11-4-5-15-40(33)41/h1-32H
InChIKeyFYDQQBYZQKPIFL-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.82
Rot. Bonds5

About 9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole

9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole (PubChem CID 90062784) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole.

Molecular Properties

Compound Name9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole
PubChem CID90062784
Molecular FormulaC50H32N4
Molecular Weight688.83 g/mol
Exact Mass688.26
IUPAC Name9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole
SMILESc1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C50H32N4/c1-2-13-38(14-3-1)53-30-29-37-31-48-44(32-47(37)53)42-16-7-9-20-46(42)54(48)39-27-25-36(26-28-39)50-51-45-19-8-6-17-43(45)49(52-50)35-23-21-34(22-24-35)41-18-10-12-33-11-4-5-15-40(33)41/h1-32H
InChIKeyFYDQQBYZQKPIFL-UHFFFAOYSA-N
XLogP12.82
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole
CID 160841836
9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole
CID 90062780
10-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole
CID 90062413
3-phenyl-9-[3-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole
CID 90062831
9-[3-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole
CID 90062811
11-[4-(4,5-diphenylquinazolin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 138533190
9,17-diphenyl-23-[3-(4-phenylquinazolin-2-yl)phenyl]-9,17,23-triazahexacyclo[11.10.0.02,10.03,8.014,22.016,20]tricosa-1(13),2(10),3,5,7,11,14(22),15,18,20-decaene
CID 90267302
12-phenyl-22-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 138533154
5-phenyl-11-[2-phenyl-5-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole
CID 138533187
6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole
CID 118317393
3-phenyl-9-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 90062827
14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,18-diphenyl-10,14,18-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,19,21-decaene
CID 90267307

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole?
The IUPAC name of 9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole (CID 90062784) is 9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole.
What is the SMILES notation for 9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole?
The canonical SMILES for 9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole is c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4n3)cc2)cc1.
What is the InChIKey of 9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole?
The InChIKey is FYDQQBYZQKPIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4/c1-2-13-38(14-3-1)53-30-29-37-31-48-44(32-47(37)53)42-16-7-9-20-46(42)54(48)39-27-25-36(26-28-39)50-51-45-19-8-6-17-43(45)49(52-50)35-23-21-34(22-24-35)41-18-10-12-33-11-4-5-15-40(33)41/h1-32H.
What are the key properties of 9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole?
9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole has a molecular weight of 688.83 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole is sourced from PubChem (CID 90062784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).