6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole

C34H22N2 — CID 118315266

IUPAC6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole
SMILESc1ccc(-n2ccc3c4c5ccccc5n(-c5ccc6cc7ccccc7cc6c5)c4ccc32)cc1
InChIInChI=1S/C34H22N2/c1-2-10-27(11-3-1)35-19-18-30-31(35)16-17-33-34(30)29-12-6-7-13-32(29)36(33)28-15-14-25-20-23-8-4-5-9-24(23)21-26(25)22-28/h1-22H
InChIKeyWTQPZBFLJSEQQD-UHFFFAOYSA-N
MW458.56 g/mol
LogP9.03
Rot. Bonds2

About 6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole

6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole (PubChem CID 118315266) has the molecular formula C34H22N2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole.

Molecular Properties

Compound Name6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole
PubChem CID118315266
Molecular FormulaC34H22N2
Molecular Weight458.56 g/mol
Exact Mass458.18
IUPAC Name6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole
SMILESc1ccc(-n2ccc3c4c5ccccc5n(-c5ccc6cc7ccccc7cc6c5)c4ccc32)cc1
InChIInChI=1S/C34H22N2/c1-2-10-27(11-3-1)35-19-18-30-31(35)16-17-33-34(30)29-12-6-7-13-32(29)36(33)28-15-14-25-20-23-8-4-5-9-24(23)21-26(25)22-28/h1-22H
InChIKeyWTQPZBFLJSEQQD-UHFFFAOYSA-N
XLogP9.03
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-(3-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole;3-phenyl-6-(4-pyren-1-ylphenyl)pyrrolo[2,3-c]carbazole
CID 161247563
N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine
CID 118315283
naphthalen-2-yl-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]methanone
CID 118315304
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 90130563
N,N-diphenyl-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline
CID 118315279
N,N-bis(4-tert-butylphenyl)-3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)aniline;N-phenyl-N-[3-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-(3-phenylpyrrolo[2,3-c]carbazol-6-yl)phenyl]naphthalen-2-amine
CID 162156424
3-phenyl-6-[4-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-c]carbazole
CID 118315311
3-phenyl-6-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-c]carbazole
CID 118315256
14-anthracen-2-yl-9-naphthalen-2-yl-6-phenyl-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-nonaene
CID 172545565
4-(9-naphthalen-2-ylcarbazol-4-yl)-9-phenylcarbazole
CID 134507252
6-[3-(3,6-diphenylcarbazol-9-yl)-5-phenylphenyl]-3-phenylpyrrolo[2,3-c]carbazole;6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 160506334
15-phenyl-9-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
CID 144645343

Frequently Asked Questions

What is the IUPAC name of 6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole?
The IUPAC name of 6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole (CID 118315266) is 6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole.
What is the SMILES notation for 6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole?
The canonical SMILES for 6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole is c1ccc(-n2ccc3c4c5ccccc5n(-c5ccc6cc7ccccc7cc6c5)c4ccc32)cc1.
What is the InChIKey of 6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole?
The InChIKey is WTQPZBFLJSEQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N2/c1-2-10-27(11-3-1)35-19-18-30-31(35)16-17-33-34(30)29-12-6-7-13-32(29)36(33)28-15-14-25-20-23-8-4-5-9-24(23)21-26(25)22-28/h1-22H.
What are the key properties of 6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole?
6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole has a molecular weight of 458.56 g/mol, XLogP of 9.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anthracen-2-yl-3-phenylpyrrolo[2,3-c]carbazole is sourced from PubChem (CID 118315266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).