11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole

C46H29N3 — CID 149025135

IUPAC11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc3c(c2)c2ccccc2n3-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C46H29N3/c1-2-14-32(15-3-1)47-41-19-9-7-17-36(41)39-29-46-40(28-45(39)47)37-18-8-11-21-43(37)49(46)34-24-25-44-38(27-34)35-16-6-10-20-42(35)48(44)33-23-22-30-12-4-5-13-31(30)26-33/h1-29H
InChIKeyQEFYACQJWLVXSZ-UHFFFAOYSA-N
MW623.76 g/mol
LogP12.13
Rot. Bonds3

About 11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole

11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole (PubChem CID 149025135) has the molecular formula C46H29N3 and a molecular weight of 623.76 g/mol. Its IUPAC name is 11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole
PubChem CID149025135
Molecular FormulaC46H29N3
Molecular Weight623.76 g/mol
Exact Mass623.24
IUPAC Name11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc3c(c2)c2ccccc2n3-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C46H29N3/c1-2-14-32(15-3-1)47-41-19-9-7-17-36(41)39-29-46-40(28-45(39)47)37-18-8-11-21-43(37)49(46)34-24-25-44-38(27-34)35-16-6-10-20-42(35)48(44)33-23-22-30-12-4-5-13-31(30)26-33/h1-29H
InChIKeyQEFYACQJWLVXSZ-UHFFFAOYSA-N
XLogP12.13
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158681478
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764146
3-carbazol-9-yl-9-(3-carbazol-9-ylphenyl)carbazole;3-carbazol-9-yl-9-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 157218905
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
11-(1-naphthalen-2-ylbenzimidazol-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 118487877
2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 148676628

Frequently Asked Questions

What is the IUPAC name of 11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole?
The IUPAC name of 11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole (CID 149025135) is 11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc3c(c2)c2ccccc2n3-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole?
The InChIKey is QEFYACQJWLVXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3/c1-2-14-32(15-3-1)47-41-19-9-7-17-36(41)39-29-46-40(28-45(39)47)37-18-8-11-21-43(37)49(46)34-24-25-44-38(27-34)35-16-6-10-20-42(35)48(44)33-23-22-30-12-4-5-13-31(30)26-33/h1-29H.
What are the key properties of 11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole?
11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole has a molecular weight of 623.76 g/mol, XLogP of 12.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 149025135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).