6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole

C44H28N4 — CID 118317393

IUPAC6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole
SMILESc1ccc(-n2ccc3ccc4c(c5ccccc5n4-c4ccc(-c5nc(-c6cccc7ccccc67)c6ccccc6n5)cc4)c32)cc1
InChIInChI=1S/C44H28N4/c1-2-13-32(14-3-1)47-28-27-30-23-26-40-41(43(30)47)37-17-7-9-20-39(37)48(40)33-24-21-31(22-25-33)44-45-38-19-8-6-16-36(38)42(46-44)35-18-10-12-29-11-4-5-15-34(29)35/h1-28H
InChIKeyTXEAZWGXRPMSJE-UHFFFAOYSA-N
MW612.74 g/mol
LogP11.16
Rot. Bonds4

About 6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole

6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole (PubChem CID 118317393) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole.

Molecular Properties

Compound Name6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole
PubChem CID118317393
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole
SMILESc1ccc(-n2ccc3ccc4c(c5ccccc5n4-c4ccc(-c5nc(-c6cccc7ccccc67)c6ccccc6n5)cc4)c32)cc1
InChIInChI=1S/C44H28N4/c1-2-13-32(14-3-1)47-28-27-30-23-26-40-41(43(30)47)37-17-7-9-20-39(37)48(40)33-24-21-31(22-25-33)44-45-38-19-8-6-16-36(38)42(46-44)35-18-10-12-29-11-4-5-15-34(29)35/h1-28H
InChIKeyTXEAZWGXRPMSJE-UHFFFAOYSA-N
XLogP11.16
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole
CID 90062413
1-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-c]carbazole
CID 118317427
1,6-diphenyl-9-(4-phenylquinazolin-2-yl)pyrrolo[3,2-c]carbazole
CID 118317506
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-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole
CID 90062784
1-phenyl-6-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]pyrrolo[3,2-c]carbazole
CID 118317377
7-benzo[c]carbazol-7-yl-5-[4-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole
CID 146374669
14-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
CID 90222950
1-phenyl-10-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 90062409
1-phenyl-6-(4-pyrido[4,3-d]pyrimidin-2-ylphenyl)pyrrolo[3,2-c]carbazole
CID 118317381
14-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]phenyl]-4-phenyl-4,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene;ethane
CID 144645080
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

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole?
The IUPAC name of 6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole (CID 118317393) is 6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole.
What is the SMILES notation for 6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole?
The canonical SMILES for 6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole is c1ccc(-n2ccc3ccc4c(c5ccccc5n4-c4ccc(-c5nc(-c6cccc7ccccc67)c6ccccc6n5)cc4)c32)cc1.
What is the InChIKey of 6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole?
The InChIKey is TXEAZWGXRPMSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c1-2-13-32(14-3-1)47-28-27-30-23-26-40-41(43(30)47)37-17-7-9-20-39(37)48(40)33-24-21-31(22-25-33)44-45-38-19-8-6-16-36(38)42(46-44)35-18-10-12-29-11-4-5-15-34(29)35/h1-28H.
What are the key properties of 6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole?
6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole has a molecular weight of 612.74 g/mol, XLogP of 11.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole is sourced from PubChem (CID 118317393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).