10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole

C46H30N2 — CID 118315994

IUPAC10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-n4ccc5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)c3ccccc23)cc1
InChIInChI=1S/C46H30N2/c1-3-13-31(14-4-1)43-37-18-7-9-20-39(37)44(40-21-10-8-19-38(40)43)32-23-26-34(27-24-32)47-30-29-33-25-28-41-36-17-11-12-22-42(36)48(46(41)45(33)47)35-15-5-2-6-16-35/h1-30H
InChIKeyFUNQCQCBFDYCGH-UHFFFAOYSA-N
MW610.76 g/mol
LogP12.37
Rot. Bonds4

About 10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole

10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole (PubChem CID 118315994) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is 10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole.

Molecular Properties

Compound Name10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole
PubChem CID118315994
Molecular FormulaC46H30N2
Molecular Weight610.76 g/mol
Exact Mass610.24
IUPAC Name10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-n4ccc5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)c3ccccc23)cc1
InChIInChI=1S/C46H30N2/c1-3-13-31(14-4-1)43-37-18-7-9-20-39(37)44(40-21-10-8-19-38(40)43)32-23-26-34(27-24-32)47-30-29-33-25-28-41-36-17-11-12-22-42(36)48(46(41)45(33)47)35-15-5-2-6-16-35/h1-30H
InChIKeyFUNQCQCBFDYCGH-UHFFFAOYSA-N
XLogP12.37
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 512.37
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

10-(4-anthracen-9-ylphenyl)-1-phenylpyrrolo[2,3-a]carbazole
CID 118315120
1-(3,5-diphenylphenyl)-10-[4-[4-[1-(3,5-diphenylphenyl)pyrrolo[2,3-a]carbazol-10-yl]phenyl]phenyl]pyrrolo[2,3-a]carbazole
CID 90090913
1-phenyl-10-[3-phenyl-5-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 90090982
10-(3,5-diphenylphenyl)-1-phenylpyrrolo[2,3-a]carbazole
CID 90371617
10-phenyl-1-[4-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 118316007
1-phenyl-10-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[2,3-a]carbazole
CID 90062409
1-phenyl-10-[3-(2-phenylcarbazol-9-yl)phenyl]pyrrolo[2,3-a]carbazole
CID 118315161
1-(4-isoquinolin-4-ylphenyl)-10-phenylpyrrolo[2,3-a]carbazole
CID 123457400
1-phenyl-10-[4-(4-phenylphenyl)-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole
CID 90091343
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole
CID 90091012
10-[3-(10-phenylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)pyrrolo[3,2-a]carbazole
CID 118315429

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole?
The IUPAC name of 10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole (CID 118315994) is 10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole.
What is the SMILES notation for 10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole?
The canonical SMILES for 10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole is c1ccc(-c2c3ccccc3c(-c3ccc(-n4ccc5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)c3ccccc23)cc1.
What is the InChIKey of 10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole?
The InChIKey is FUNQCQCBFDYCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-3-13-31(14-4-1)43-37-18-7-9-20-39(37)44(40-21-10-8-19-38(40)43)32-23-26-34(27-24-32)47-30-29-33-25-28-41-36-17-11-12-22-42(36)48(46(41)45(33)47)35-15-5-2-6-16-35/h1-30H.
What are the key properties of 10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole?
10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole has a molecular weight of 610.76 g/mol, XLogP of 12.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-1-[4-(10-phenylanthracen-9-yl)phenyl]pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 118315994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).