7-(4-carbazol-9-ylphenyl)-5-phenanthren-2-ylindolo[2,3-b]carbazole

C50H31N3 — CID 134168535

IUPAC7-(4-carbazol-9-ylphenyl)-5-phenanthren-2-ylindolo[2,3-b]carbazole
SMILESc1ccc2c(c1)ccc1cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5cc43)ccc12
InChIInChI=1S/C50H31N3/c1-2-12-37-32(11-1)21-22-33-29-36(27-28-38(33)37)53-48-20-10-6-16-42(48)44-30-43-41-15-5-9-19-47(41)52(49(43)31-50(44)53)35-25-23-34(24-26-35)51-45-17-7-3-13-39(45)40-14-4-8-18-46(40)51/h1-31H
InChIKeyINOJUCOOUKKWTK-UHFFFAOYSA-N
MW673.82 g/mol
LogP13.28
Rot. Bonds3

About 7-(4-carbazol-9-ylphenyl)-5-phenanthren-2-ylindolo[2,3-b]carbazole

7-(4-carbazol-9-ylphenyl)-5-phenanthren-2-ylindolo[2,3-b]carbazole (PubChem CID 134168535) has the molecular formula C50H31N3 and a molecular weight of 673.82 g/mol. Its IUPAC name is 7-(4-carbazol-9-ylphenyl)-5-phenanthren-2-ylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-(4-carbazol-9-ylphenyl)-5-phenanthren-2-ylindolo[2,3-b]carbazole
PubChem CID134168535
Molecular FormulaC50H31N3
Molecular Weight673.82 g/mol
Exact Mass673.25
IUPAC Name7-(4-carbazol-9-ylphenyl)-5-phenanthren-2-ylindolo[2,3-b]carbazole
SMILESc1ccc2c(c1)ccc1cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5cc43)ccc12
InChIInChI=1S/C50H31N3/c1-2-12-37-32(11-1)21-22-33-29-36(27-28-38(33)37)53-48-20-10-6-16-42(48)44-30-43-41-15-5-9-19-47(41)52(49(43)31-50(44)53)35-25-23-34(24-26-35)51-45-17-7-3-13-39(45)40-14-4-8-18-46(40)51/h1-31H
InChIKeyINOJUCOOUKKWTK-UHFFFAOYSA-N
XLogP13.28
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.82
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-(3-carbazol-9-ylphenyl)-11-phenanthren-2-ylindolo[3,2-b]carbazole
CID 134168708
9-phenanthren-2-yl-1-phenylpyrrolo[2,3-b]carbazole
CID 118315026
5,7-di(triphenylen-2-yl)indolo[2,3-b]carbazole
CID 166009487
11-phenanthren-2-yl-5-(4-phenylphenyl)indolo[3,2-b]carbazole;5-phenyl-11-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole;5-phenyl-11-triphenylen-2-ylindolo[3,2-b]carbazole
CID 159578220
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole
CID 149025135
5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole;11-naphthalen-1-yl-5-naphthalen-2-ylindolo[3,2-b]carbazole;11-naphthalen-1-yl-5-phenylindolo[3,2-b]carbazole;11-naphthalen-2-yl-5-phenylindolo[3,2-b]carbazole;11-phenanthren-2-yl-5-phenylindolo[3,2-b]carbazole;11-phenanthren-9-yl-5-phenylindolo[3,2-b]carbazole
CID 158059321
3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole
CID 177074724
11-naphthalen-2-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-b]carbazole
CID 167029703
16-(3-carbazol-9-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 155465799
2-carbazol-9-yl-9-phenylcarbazole
CID 118335086
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603

Frequently Asked Questions

What is the IUPAC name of 7-(4-carbazol-9-ylphenyl)-5-phenanthren-2-ylindolo[2,3-b]carbazole?
The IUPAC name of 7-(4-carbazol-9-ylphenyl)-5-phenanthren-2-ylindolo[2,3-b]carbazole (CID 134168535) is 7-(4-carbazol-9-ylphenyl)-5-phenanthren-2-ylindolo[2,3-b]carbazole.
What is the SMILES notation for 7-(4-carbazol-9-ylphenyl)-5-phenanthren-2-ylindolo[2,3-b]carbazole?
The canonical SMILES for 7-(4-carbazol-9-ylphenyl)-5-phenanthren-2-ylindolo[2,3-b]carbazole is c1ccc2c(c1)ccc1cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c5cc43)ccc12.
What is the InChIKey of 7-(4-carbazol-9-ylphenyl)-5-phenanthren-2-ylindolo[2,3-b]carbazole?
The InChIKey is INOJUCOOUKKWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3/c1-2-12-37-32(11-1)21-22-33-29-36(27-28-38(33)37)53-48-20-10-6-16-42(48)44-30-43-41-15-5-9-19-47(41)52(49(43)31-50(44)53)35-25-23-34(24-26-35)51-45-17-7-3-13-39(45)40-14-4-8-18-46(40)51/h1-31H.
What are the key properties of 7-(4-carbazol-9-ylphenyl)-5-phenanthren-2-ylindolo[2,3-b]carbazole?
7-(4-carbazol-9-ylphenyl)-5-phenanthren-2-ylindolo[2,3-b]carbazole has a molecular weight of 673.82 g/mol, XLogP of 13.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-carbazol-9-ylphenyl)-5-phenanthren-2-ylindolo[2,3-b]carbazole is sourced from PubChem (CID 134168535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).