5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole

C41H28N4O — CID 140884641

IUPAC5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole
SMILESCc1ccnc(-n2c3cc(Oc4cccc(-c5ccccn5)c4)ccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C41H28N4O/c1-27-21-23-43-39(24-27)45-37-20-19-33-32-14-5-6-16-36(32)44(29-11-3-2-4-12-29)41(33)40(37)34-18-17-31(26-38(34)45)46-30-13-9-10-28(25-30)35-15-7-8-22-42-35/h2-26H,1H3
InChIKeyMHYXWXZBOKYWLU-UHFFFAOYSA-N
MW592.70 g/mol
LogP10.44
Rot. Bonds5

About 5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole

5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole (PubChem CID 140884641) has the molecular formula C41H28N4O and a molecular weight of 592.70 g/mol. Its IUPAC name is 5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole
PubChem CID140884641
Molecular FormulaC41H28N4O
Molecular Weight592.70 g/mol
Exact Mass592.23
IUPAC Name5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole
SMILESCc1ccnc(-n2c3cc(Oc4cccc(-c5ccccn5)c4)ccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C41H28N4O/c1-27-21-23-43-39(24-27)45-37-20-19-33-32-14-5-6-16-36(32)44(29-11-3-2-4-12-29)41(33)40(37)34-18-17-31(26-38(34)45)46-30-13-9-10-28(25-30)35-15-7-8-22-42-35/h2-26H,1H3
InChIKeyMHYXWXZBOKYWLU-UHFFFAOYSA-N
XLogP10.44
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.70
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,7,8-tetramethyl-9-[2-[2-(3-pyridin-2-ylphenoxy)carbazol-9-yl]-4-pyridinyl]carbazole
CID 171769380
N-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine
CID 140884565
9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 140884549
2-[3-[4-(2,6-dimethyl-4-pyridin-2-ylphenyl)-3,5-dimethylpyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153416511
2-[3-[5-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 158912779
8,8-dimethyl-13-phenyl-5-pyridin-2-yl-3-(3-pyridin-2-ylphenoxy)indolo[2,3-c]acridine
CID 140954813
2-[3-[4-(2,6-dimethyl-4-phenylphenyl)-2-pyridinyl]phenoxy]-9-pyridin-2-ylcarbazole
CID 90290347
N,N-dimethyl-2-[2-[3-[5-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazin-2-yl]phenoxy]carbazol-9-yl]pyridin-4-amine
CID 157068270
N,12-diphenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine
CID 140884607
9-(4-tert-butyl-2-pyridinyl)-7-(3-pyridin-2-ylphenoxy)carbazole-3-carbonitrile
CID 155635938
21,21-dimethyl-14-phenyl-10-pyridin-2-yl-7-(3-pyridin-2-ylphenoxy)-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 140953723
5,5-dimethyl-8-phenyl-13-[3-(3-pyridin-2-ylphenoxy)phenyl]-1,8-naphthyridino[3,2-c]carbazole
CID 140954421

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole?
The IUPAC name of 5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole (CID 140884641) is 5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole.
What is the SMILES notation for 5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole?
The canonical SMILES for 5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole is Cc1ccnc(-n2c3cc(Oc4cccc(-c5ccccn5)c4)ccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.
What is the InChIKey of 5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole?
The InChIKey is MHYXWXZBOKYWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4O/c1-27-21-23-43-39(24-27)45-37-20-19-33-32-14-5-6-16-36(32)44(29-11-3-2-4-12-29)41(33)40(37)34-18-17-31(26-38(34)45)46-30-13-9-10-28(25-30)35-15-7-8-22-42-35/h2-26H,1H3.
What are the key properties of 5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole?
5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole has a molecular weight of 592.70 g/mol, XLogP of 10.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-2-pyridinyl)-12-phenyl-3-(3-pyridin-2-ylphenoxy)indolo[3,2-c]carbazole is sourced from PubChem (CID 140884641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).