5-phenyl-11-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)-1,2-dihydropyridin-6-yl]indolo[3,2-b]carbazole

C43H31N5 — CID 137245095

IUPAC5-phenyl-11-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)-1,2-dihydropyridin-6-yl]indolo[3,2-b]carbazole
SMILESC1=C(C2=Nc3ccccc3C(c3ccccc3)N2)CNC(n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)=C1
InChIInChI=1S/C43H31N5/c1-3-13-28(14-4-1)42-33-19-7-10-20-36(33)45-43(46-42)29-23-24-41(44-27-29)48-38-22-12-9-18-32(38)35-25-39-34(26-40(35)48)31-17-8-11-21-37(31)47(39)30-15-5-2-6-16-30/h1-26,42,44H,27H2,(H,45,46)
InChIKeyILVCXVJFXJMIAK-UHFFFAOYSA-N
MW617.76 g/mol
LogP9.64
Rot. Bonds4

About 5-phenyl-11-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)-1,2-dihydropyridin-6-yl]indolo[3,2-b]carbazole

5-phenyl-11-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)-1,2-dihydropyridin-6-yl]indolo[3,2-b]carbazole (PubChem CID 137245095) has the molecular formula C43H31N5 and a molecular weight of 617.76 g/mol. Its IUPAC name is 5-phenyl-11-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)-1,2-dihydropyridin-6-yl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-phenyl-11-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)-1,2-dihydropyridin-6-yl]indolo[3,2-b]carbazole
PubChem CID137245095
Molecular FormulaC43H31N5
Molecular Weight617.76 g/mol
Exact Mass617.26
IUPAC Name5-phenyl-11-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)-1,2-dihydropyridin-6-yl]indolo[3,2-b]carbazole
SMILESC1=C(C2=Nc3ccccc3C(c3ccccc3)N2)CNC(n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)=C1
InChIInChI=1S/C43H31N5/c1-3-13-28(14-4-1)42-33-19-7-10-20-36(33)45-43(46-42)29-23-24-41(44-27-29)48-38-22-12-9-18-32(38)35-25-39-34(26-40(35)48)31-17-8-11-21-37(31)47(39)30-15-5-2-6-16-30/h1-26,42,44H,27H2,(H,45,46)
InChIKeyILVCXVJFXJMIAK-UHFFFAOYSA-N
XLogP9.64
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.76
LogP ≤ 59.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]carbazole
CID 136631150
3-[9-[4-(4-naphthalen-2-ylphenyl)-3,4-dihydroquinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 144925897
5-[6-(4-phenyl-3,4-dihydroquinazolin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 154968692
3-phenyl-28-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(27),19,21,23,25-tridecaene
CID 163591893
15-phenyl-12-(4-phenyl-3,4-dihydroquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 137209288
16-(7-phenylindolo[2,3-b]carbazol-5-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),4,6,8,10,13(18),14,16,19(23),20-decaene
CID 163412050
11-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-5-phenylindolo[3,2-b]carbazole
CID 137220455
18,18-dimethyl-9-[4-(4-phenyl-3,4-dihydroquinazolin-2-yl)phenyl]-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 136934762
ethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole
CID 123300627
3-(3H-indol-2-yl)-5,11-diphenylindolo[3,2-b]carbazole
CID 159892613
1,1-dimethyl-2,9-diphenyl-2,3-dihydropyrrolo[3,2-b]carbazole
CID 126560201
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-11-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)-1,2-dihydropyridin-6-yl]indolo[3,2-b]carbazole?
The IUPAC name of 5-phenyl-11-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)-1,2-dihydropyridin-6-yl]indolo[3,2-b]carbazole (CID 137245095) is 5-phenyl-11-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)-1,2-dihydropyridin-6-yl]indolo[3,2-b]carbazole.
What is the SMILES notation for 5-phenyl-11-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)-1,2-dihydropyridin-6-yl]indolo[3,2-b]carbazole?
The canonical SMILES for 5-phenyl-11-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)-1,2-dihydropyridin-6-yl]indolo[3,2-b]carbazole is C1=C(C2=Nc3ccccc3C(c3ccccc3)N2)CNC(n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccccc2)=C1.
What is the InChIKey of 5-phenyl-11-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)-1,2-dihydropyridin-6-yl]indolo[3,2-b]carbazole?
The InChIKey is ILVCXVJFXJMIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N5/c1-3-13-28(14-4-1)42-33-19-7-10-20-36(33)45-43(46-42)29-23-24-41(44-27-29)48-38-22-12-9-18-32(38)35-25-39-34(26-40(35)48)31-17-8-11-21-37(31)47(39)30-15-5-2-6-16-30/h1-26,42,44H,27H2,(H,45,46).
What are the key properties of 5-phenyl-11-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)-1,2-dihydropyridin-6-yl]indolo[3,2-b]carbazole?
5-phenyl-11-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)-1,2-dihydropyridin-6-yl]indolo[3,2-b]carbazole has a molecular weight of 617.76 g/mol, XLogP of 9.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-11-[3-(4-phenyl-3,4-dihydroquinazolin-2-yl)-1,2-dihydropyridin-6-yl]indolo[3,2-b]carbazole is sourced from PubChem (CID 137245095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).