11-phenyl-8-[3-(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]indolo[3,2-c][1,6]naphthyridine

C43H27N5 — CID 90336726

IUPAC11-phenyl-8-[3-(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]indolo[3,2-c][1,6]naphthyridine
SMILESc1ccc(-n2c3ccc(-c4cccc(-c5ccc6c(c5)c5cnc7ccncc7c5n6-c5ccccc5)c4)cc3c3ccncc32)cc1
InChIInChI=1S/C43H27N5/c1-3-10-32(11-4-1)47-40-16-14-30(23-35(40)34-18-20-45-27-42(34)47)28-8-7-9-29(22-28)31-15-17-41-36(24-31)37-26-46-39-19-21-44-25-38(39)43(37)48(41)33-12-5-2-6-13-33/h1-27H
InChIKeyTWTAQFMRKKMIQX-UHFFFAOYSA-N
MW613.72 g/mol
LogP10.55
Rot. Bonds4

About 11-phenyl-8-[3-(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]indolo[3,2-c][1,6]naphthyridine

11-phenyl-8-[3-(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]indolo[3,2-c][1,6]naphthyridine (PubChem CID 90336726) has the molecular formula C43H27N5 and a molecular weight of 613.72 g/mol. Its IUPAC name is 11-phenyl-8-[3-(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]indolo[3,2-c][1,6]naphthyridine.

Molecular Properties

Compound Name11-phenyl-8-[3-(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]indolo[3,2-c][1,6]naphthyridine
PubChem CID90336726
Molecular FormulaC43H27N5
Molecular Weight613.72 g/mol
Exact Mass613.23
IUPAC Name11-phenyl-8-[3-(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]indolo[3,2-c][1,6]naphthyridine
SMILESc1ccc(-n2c3ccc(-c4cccc(-c5ccc6c(c5)c5cnc7ccncc7c5n6-c5ccccc5)c4)cc3c3ccncc32)cc1
InChIInChI=1S/C43H27N5/c1-3-10-32(11-4-1)47-40-16-14-30(23-35(40)34-18-20-45-27-42(34)47)28-8-7-9-29(22-28)31-15-17-41-36(24-31)37-26-46-39-19-21-44-25-38(39)43(37)48(41)33-12-5-2-6-13-33/h1-27H
InChIKeyTWTAQFMRKKMIQX-UHFFFAOYSA-N
XLogP10.55
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.72
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-phenyl-8-[3-(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]indolo[3,2-c][1,6]naphthyridine with MolForge

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Related Compounds

11-phenyl-8-(9-phenylcarbazol-3-yl)indolo[3,2-c][1,7]naphthyridine
CID 90336672
5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole
CID 90336649
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
CID 90336623
9-(3-phenylphenyl)-6-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]pyrido[3,4-b]indole
CID 146187368
9-phenyl-6-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
CID 129221469
10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 139575264
5-(3-carbazol-9-ylphenyl)-8-phenylpyrido[4,3-b]indole
CID 170060228
6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylpyrido[3,4-b]indole
CID 122451707
8-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole
CID 118968815
8-phenyl-5-[4-[5-[4-(8-phenylpyrido[4,3-b]indol-5-yl)phenyl]-3-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59372042
10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 123184243

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-8-[3-(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]indolo[3,2-c][1,6]naphthyridine?
The IUPAC name of 11-phenyl-8-[3-(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]indolo[3,2-c][1,6]naphthyridine (CID 90336726) is 11-phenyl-8-[3-(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]indolo[3,2-c][1,6]naphthyridine.
What is the SMILES notation for 11-phenyl-8-[3-(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]indolo[3,2-c][1,6]naphthyridine?
The canonical SMILES for 11-phenyl-8-[3-(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]indolo[3,2-c][1,6]naphthyridine is c1ccc(-n2c3ccc(-c4cccc(-c5ccc6c(c5)c5cnc7ccncc7c5n6-c5ccccc5)c4)cc3c3ccncc32)cc1.
What is the InChIKey of 11-phenyl-8-[3-(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]indolo[3,2-c][1,6]naphthyridine?
The InChIKey is TWTAQFMRKKMIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N5/c1-3-10-32(11-4-1)47-40-16-14-30(23-35(40)34-18-20-45-27-42(34)47)28-8-7-9-29(22-28)31-15-17-41-36(24-31)37-26-46-39-19-21-44-25-38(39)43(37)48(41)33-12-5-2-6-13-33/h1-27H.
What are the key properties of 11-phenyl-8-[3-(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]indolo[3,2-c][1,6]naphthyridine?
11-phenyl-8-[3-(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]indolo[3,2-c][1,6]naphthyridine has a molecular weight of 613.72 g/mol, XLogP of 10.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-8-[3-(9-phenylpyrido[3,4-b]indol-6-yl)phenyl]indolo[3,2-c][1,6]naphthyridine is sourced from PubChem (CID 90336726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).