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

C44H28N4 — CID 90062780

IUPAC9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole
SMILESc1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc(-c3nc(-c4ccc5ccccc5c4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C44H28N4/c1-2-12-34(13-3-1)47-25-24-32-27-42-38(28-41(32)47)36-14-7-9-17-40(36)48(42)35-22-20-30(21-23-35)44-45-39-16-8-6-15-37(39)43(46-44)33-19-18-29-10-4-5-11-31(29)26-33/h1-28H
InChIKeyZMLGSNGPSRRMND-UHFFFAOYSA-N
MW612.74 g/mol
LogP11.16
Rot. Bonds4

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

9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole (PubChem CID 90062780) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole.

Molecular Properties

Compound Name9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole
PubChem CID90062780
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole
SMILESc1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc(-c3nc(-c4ccc5ccccc5c4)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C44H28N4/c1-2-12-34(13-3-1)47-25-24-32-27-42-38(28-41(32)47)36-14-7-9-17-40(36)48(42)35-22-20-30(21-23-35)44-45-39-16-8-6-15-37(39)43(46-44)33-19-18-29-10-4-5-11-31(29)26-33/h1-28H
InChIKeyZMLGSNGPSRRMND-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

9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole
CID 90062784
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
11-naphthalen-2-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole;5-(3-phenylphenyl)-11-[3-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]carbazole
CID 160949028
28-phenyl-23-[22-phenyl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-6-yl]-14-[4-(4-phenylquinazolin-2-yl)phenyl]-14,28-diazaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.021,26]octacosa-1,3(15),4,6,8,10,12,16,18(27),19,21(26),22,24-tridecaene
CID 138533201
9-[3-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole
CID 90062811
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
3-phenyl-9-[3-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole
CID 90062831
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
3-carbazol-9-yl-9-[3-[4-[4-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-naphthalen-2-ylquinazolin-7-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 139315614
3-phenyl-9-[3-(4-pyridin-2-ylquinazolin-2-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 90062827
5-[3-(4-phenanthren-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 139362132
23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene
CID 90267570

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole?
The IUPAC name of 9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole (CID 90062780) is 9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole.
What is the SMILES notation for 9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole?
The canonical SMILES for 9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole is c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc(-c3nc(-c4ccc5ccccc5c4)c4ccccc4n3)cc2)cc1.
What is the InChIKey of 9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole?
The InChIKey is ZMLGSNGPSRRMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c1-2-12-34(13-3-1)47-25-24-32-27-42-38(28-41(32)47)36-14-7-9-17-40(36)48(42)35-22-20-30(21-23-35)44-45-39-16-8-6-15-37(39)43(46-44)33-19-18-29-10-4-5-11-31(29)26-33/h1-28H.
What are the key properties of 9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole?
9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]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 9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole is sourced from PubChem (CID 90062780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).