3-ethenyl-10-phenyl-1-[5-(4-phenylquinazolin-2-yl)-2-pyridinyl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole

C44H31N5 — CID 139430719

IUPAC3-ethenyl-10-phenyl-1-[5-(4-phenylquinazolin-2-yl)-2-pyridinyl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
SMILESC=Cc1c(/C=C\C)n(-c2ccc(-c3nc(-c4ccccc4)c4ccccc4n3)cn2)c2c1ccc1c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C44H31N5/c1-3-15-38-32(4-2)34-25-26-35-33-20-12-14-23-39(33)48(31-18-9-6-10-19-31)42(35)43(34)49(38)40-27-24-30(28-45-40)44-46-37-22-13-11-21-36(37)41(47-44)29-16-7-5-8-17-29/h3-28H,2H2,1H3/b15-3-
InChIKeyZLGRBCHFBFFHMT-CQPUUCJISA-N
MW629.77 g/mol
LogP11.08
Rot. Bonds6

About 3-ethenyl-10-phenyl-1-[5-(4-phenylquinazolin-2-yl)-2-pyridinyl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole

3-ethenyl-10-phenyl-1-[5-(4-phenylquinazolin-2-yl)-2-pyridinyl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole (PubChem CID 139430719) has the molecular formula C44H31N5 and a molecular weight of 629.77 g/mol. Its IUPAC name is 3-ethenyl-10-phenyl-1-[5-(4-phenylquinazolin-2-yl)-2-pyridinyl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name3-ethenyl-10-phenyl-1-[5-(4-phenylquinazolin-2-yl)-2-pyridinyl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
PubChem CID139430719
Molecular FormulaC44H31N5
Molecular Weight629.77 g/mol
Exact Mass629.26
IUPAC Name3-ethenyl-10-phenyl-1-[5-(4-phenylquinazolin-2-yl)-2-pyridinyl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
SMILESC=Cc1c(/C=C\C)n(-c2ccc(-c3nc(-c4ccccc4)c4ccccc4n3)cn2)c2c1ccc1c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C44H31N5/c1-3-15-38-32(4-2)34-25-26-35-33-20-12-14-23-39(33)48(31-18-9-6-10-19-31)42(35)43(34)49(38)40-27-24-30(28-45-40)44-46-37-22-13-11-21-36(37)41(47-44)29-16-7-5-8-17-29/h3-28H,2H2,1H3/b15-3-
InChIKeyZLGRBCHFBFFHMT-CQPUUCJISA-N
XLogP11.08
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.77
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

16-phenyl-12-[5-(4-phenylquinazolin-2-yl)-2-pyridinyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 139322441
3-ethenyl-10-phenyl-1-[4-phenyl-6-[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 167157398
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
11-phenyl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[2,3-i]phenanthridine
CID 129122934
2-ethenyl-1,10-diphenyl-3-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
CID 138736833
13-ethenyl-9-phenyl-12-(4-phenylquinazolin-2-yl)-14-[(Z)-prop-1-enyl]-9,12-diazaheptacyclo[14.12.0.02,10.03,8.011,15.017,22.023,28]octacosa-1(16),2(10),3,5,7,11(15),13,17,19,21,23,25,27-tridecaene
CID 134370587
1-phenyl-10-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 90062409
2-ethenyl-3-phenyl-6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-1-[(Z)-prop-1-enyl]pyrrolo[2,3-k]phenanthridine
CID 129127715
11-phenyl-12-[5-[4-phenyl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazin-2-yl]-2-pyridinyl]indolo[2,3-a]carbazole
CID 145190422
buta-1,3-diene;ethane;9-(4-phenylphenyl)-25-[4-(4-phenylquinazolin-2-yl)phenyl]-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene
CID 144696785
2,5-di(carbazol-9-yl)-3-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-6-(12-phenylindolo[3,2-c]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 166856371
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-10-phenyl-1-[5-(4-phenylquinazolin-2-yl)-2-pyridinyl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole?
The IUPAC name of 3-ethenyl-10-phenyl-1-[5-(4-phenylquinazolin-2-yl)-2-pyridinyl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole (CID 139430719) is 3-ethenyl-10-phenyl-1-[5-(4-phenylquinazolin-2-yl)-2-pyridinyl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole.
What is the SMILES notation for 3-ethenyl-10-phenyl-1-[5-(4-phenylquinazolin-2-yl)-2-pyridinyl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole?
The canonical SMILES for 3-ethenyl-10-phenyl-1-[5-(4-phenylquinazolin-2-yl)-2-pyridinyl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole is C=Cc1c(/C=C\C)n(-c2ccc(-c3nc(-c4ccccc4)c4ccccc4n3)cn2)c2c1ccc1c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 3-ethenyl-10-phenyl-1-[5-(4-phenylquinazolin-2-yl)-2-pyridinyl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole?
The InChIKey is ZLGRBCHFBFFHMT-CQPUUCJISA-N. The full InChI is InChI=1S/C44H31N5/c1-3-15-38-32(4-2)34-25-26-35-33-20-12-14-23-39(33)48(31-18-9-6-10-19-31)42(35)43(34)49(38)40-27-24-30(28-45-40)44-46-37-22-13-11-21-36(37)41(47-44)29-16-7-5-8-17-29/h3-28H,2H2,1H3/b15-3-.
What are the key properties of 3-ethenyl-10-phenyl-1-[5-(4-phenylquinazolin-2-yl)-2-pyridinyl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole?
3-ethenyl-10-phenyl-1-[5-(4-phenylquinazolin-2-yl)-2-pyridinyl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole has a molecular weight of 629.77 g/mol, XLogP of 11.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-10-phenyl-1-[5-(4-phenylquinazolin-2-yl)-2-pyridinyl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 139430719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).