5-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-12H-indolo[3,2-c]carbazole

C41H29N3 — CID 71135374

IUPAC5-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-12H-indolo[3,2-c]carbazole
SMILESC1=C(c2cccc(-n3c4ccccc4c4c5[nH]c6ccccc6c5ccc43)c2)C=C(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C41H29N3/c1-3-12-27(13-4-1)36-25-30(26-37(42-36)28-14-5-2-6-15-28)29-16-11-17-31(24-29)44-38-21-10-8-19-34(38)40-39(44)23-22-33-32-18-7-9-20-35(32)43-41(33)40/h1-26,36,42-43H
InChIKeyGZVMFPFXKITNGM-UHFFFAOYSA-N
MW563.70 g/mol
LogP10.19
Rot. Bonds4

About 5-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-12H-indolo[3,2-c]carbazole

5-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-12H-indolo[3,2-c]carbazole (PubChem CID 71135374) has the molecular formula C41H29N3 and a molecular weight of 563.70 g/mol. Its IUPAC name is 5-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-12H-indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-12H-indolo[3,2-c]carbazole
PubChem CID71135374
Molecular FormulaC41H29N3
Molecular Weight563.70 g/mol
Exact Mass563.24
IUPAC Name5-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-12H-indolo[3,2-c]carbazole
SMILESC1=C(c2cccc(-n3c4ccccc4c4c5[nH]c6ccccc6c5ccc43)c2)C=C(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C41H29N3/c1-3-12-27(13-4-1)36-25-30(26-37(42-36)28-14-5-2-6-15-28)29-16-11-17-31(24-29)44-38-21-10-8-19-34(38)40-39(44)23-22-33-32-18-7-9-20-35(32)43-41(33)40/h1-26,36,42-43H
InChIKeyGZVMFPFXKITNGM-UHFFFAOYSA-N
XLogP10.19
TPSA32.75 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 510.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]carbazole
CID 130180910
1,1'-biphenyl;5-[3-(3-phenylphenyl)phenyl]-12H-indolo[3,2-c]carbazole
CID 142615329
6-[9-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 118587049
9-[3-(4,6-diphenyl-1,2-dihydropyridin-2-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 135163040
12-[9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-11H-indolo[2,3-a]carbazole
CID 170424202
5-[3,5-bis(4-tert-butylphenyl)phenyl]-12H-indolo[3,2-c]carbazole
CID 175982941
3-(9H-carbazol-2-yl)-9-(3-phenylphenyl)carbazole
CID 122652205
9-(3-phenylphenyl)-14-[3-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 138747357
3-(3-phenylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 134602344
12-(2,6-diphenyl-1,2-dihydropyridin-4-yl)-16-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 130184193
5-(2,3,4,5,6-pentadeuteriophenyl)-12H-indolo[3,2-c]carbazole
CID 142619140
9-(2,4-diphenyl-1,2-dihydropyridin-6-yl)-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.019,24.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),19,21,23,27,29,31-pentadecaene
CID 135162977

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-12H-indolo[3,2-c]carbazole?
The IUPAC name of 5-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-12H-indolo[3,2-c]carbazole (CID 71135374) is 5-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-12H-indolo[3,2-c]carbazole.
What is the SMILES notation for 5-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-12H-indolo[3,2-c]carbazole?
The canonical SMILES for 5-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-12H-indolo[3,2-c]carbazole is C1=C(c2cccc(-n3c4ccccc4c4c5[nH]c6ccccc6c5ccc43)c2)C=C(c2ccccc2)NC1c1ccccc1.
What is the InChIKey of 5-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-12H-indolo[3,2-c]carbazole?
The InChIKey is GZVMFPFXKITNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3/c1-3-12-27(13-4-1)36-25-30(26-37(42-36)28-14-5-2-6-15-28)29-16-11-17-31(24-29)44-38-21-10-8-19-34(38)40-39(44)23-22-33-32-18-7-9-20-35(32)43-41(33)40/h1-26,36,42-43H.
What are the key properties of 5-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-12H-indolo[3,2-c]carbazole?
5-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-12H-indolo[3,2-c]carbazole has a molecular weight of 563.70 g/mol, XLogP of 10.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-12H-indolo[3,2-c]carbazole is sourced from PubChem (CID 71135374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).