[4-[1-(4-methylphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-5-yl]phenyl]phosphane

C47H35N2P — CID 71016750

IUPAC[4-[1-(4-methylphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-5-yl]phenyl]phosphane
SMILESCc1ccc(-n2c(-c3ccc(-c4ccccc4)cc3)cc3cc4c(cc(-c5ccc(-c6ccccc6)cc5)n4-c4ccc(P)cc4)cc32)cc1
InChIInChI=1S/C47H35N2P/c1-32-12-22-41(23-13-32)48-44(37-18-14-35(15-19-37)33-8-4-2-5-9-33)28-39-31-47-40(30-46(39)48)29-45(49(47)42-24-26-43(50)27-25-42)38-20-16-36(17-21-38)34-10-6-3-7-11-34/h2-31H,50H2,1H3
InChIKeyZXFLOYOMLRRQQF-UHFFFAOYSA-N
MW658.79 g/mol
LogP12.05
Rot. Bonds6

About [4-[1-(4-methylphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-5-yl]phenyl]phosphane

[4-[1-(4-methylphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-5-yl]phenyl]phosphane (PubChem CID 71016750) has the molecular formula C47H35N2P and a molecular weight of 658.79 g/mol. Its IUPAC name is [4-[1-(4-methylphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-5-yl]phenyl]phosphane.

Molecular Properties

Compound Name[4-[1-(4-methylphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-5-yl]phenyl]phosphane
PubChem CID71016750
Molecular FormulaC47H35N2P
Molecular Weight658.79 g/mol
Exact Mass658.25
IUPAC Name[4-[1-(4-methylphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-5-yl]phenyl]phosphane
SMILESCc1ccc(-n2c(-c3ccc(-c4ccccc4)cc3)cc3cc4c(cc(-c5ccc(-c6ccccc6)cc5)n4-c4ccc(P)cc4)cc32)cc1
InChIInChI=1S/C47H35N2P/c1-32-12-22-41(23-13-32)48-44(37-18-14-35(15-19-37)33-8-4-2-5-9-33)28-39-31-47-40(30-46(39)48)29-45(49(47)42-24-26-43(50)27-25-42)38-20-16-36(17-21-38)34-10-6-3-7-11-34/h2-31H,50H2,1H3
InChIKeyZXFLOYOMLRRQQF-UHFFFAOYSA-N
XLogP12.05
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.79
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(4-methylphenyl)indole
CID 151814608
1,2-diphenyl-6-[2-phenyl-1-(4-phenylphenyl)indol-6-yl]indole
CID 71230374
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
1,5-bis[4-(2-methylphenyl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole;1,5-bis(4-naphthalen-1-ylphenyl)-2,6-diphenylpyrrolo[2,3-f]indole
CID 157183125
4-N-[4-[2,6-bis(4-methylphenyl)-1-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]pyrrolo[2,3-f]indol-5-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;N-[4-[2,6-dinaphthalen-1-yl-1-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-[4-[2,6-dinaphthalen-2-yl-1-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;4-N-[4-[2,6-diphenyl-1-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]pyrrolo[2,3-f]indol-5-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 159649458
1,5-bis[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole
CID 71016751
1,5-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole;1,5-di(anthracen-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole
CID 159771384
3-[4-[9-[4-(4-methylphenyl)phenyl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 121287007
N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138467755
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
1,5-bis(3,5-diphenylphenyl)-2-(4-phenylcyclohexa-1,3-dien-1-yl)-6-(4-phenylphenyl)pyrrolo[2,3-f]indole
CID 88909064
3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488392

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-methylphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-5-yl]phenyl]phosphane?
The IUPAC name of [4-[1-(4-methylphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-5-yl]phenyl]phosphane (CID 71016750) is [4-[1-(4-methylphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-5-yl]phenyl]phosphane.
What is the SMILES notation for [4-[1-(4-methylphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-5-yl]phenyl]phosphane?
The canonical SMILES for [4-[1-(4-methylphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-5-yl]phenyl]phosphane is Cc1ccc(-n2c(-c3ccc(-c4ccccc4)cc3)cc3cc4c(cc(-c5ccc(-c6ccccc6)cc5)n4-c4ccc(P)cc4)cc32)cc1.
What is the InChIKey of [4-[1-(4-methylphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-5-yl]phenyl]phosphane?
The InChIKey is ZXFLOYOMLRRQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N2P/c1-32-12-22-41(23-13-32)48-44(37-18-14-35(15-19-37)33-8-4-2-5-9-33)28-39-31-47-40(30-46(39)48)29-45(49(47)42-24-26-43(50)27-25-42)38-20-16-36(17-21-38)34-10-6-3-7-11-34/h2-31H,50H2,1H3.
What are the key properties of [4-[1-(4-methylphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-5-yl]phenyl]phosphane?
[4-[1-(4-methylphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-5-yl]phenyl]phosphane has a molecular weight of 658.79 g/mol, XLogP of 12.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-methylphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-5-yl]phenyl]phosphane is sourced from PubChem (CID 71016750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).