5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide

C55H38NOP — CID 121310688

IUPAC5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
SMILESCC1(C)c2cc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4P6(=O)c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C55H38NOP/c1-55(2)48-33-39(24-28-43(48)44-29-25-40(34-49(44)55)38-21-20-35-12-6-7-13-37(35)32-38)36-22-26-41(27-23-36)56-50-18-10-8-17-47(50)53-51(56)31-30-46-45-16-9-11-19-52(45)58(57,54(46)53)42-14-4-3-5-15-42/h3-34H,1-2H3
InChIKeyYPHSFLATJJIBBO-UHFFFAOYSA-N
MW759.89 g/mol
LogP13.20
Rot. Bonds4

About 5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide

5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide (PubChem CID 121310688) has the molecular formula C55H38NOP and a molecular weight of 759.89 g/mol. Its IUPAC name is 5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide.

Molecular Properties

Compound Name5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
PubChem CID121310688
Molecular FormulaC55H38NOP
Molecular Weight759.89 g/mol
Exact Mass759.27
IUPAC Name5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
SMILESCC1(C)c2cc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4P6(=O)c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C55H38NOP/c1-55(2)48-33-39(24-28-43(48)44-29-25-40(34-49(44)55)38-21-20-35-12-6-7-13-37(35)32-38)36-22-26-41(27-23-36)56-50-18-10-8-17-47(50)53-51(56)31-30-46-45-16-9-11-19-52(45)58(57,54(46)53)42-14-4-3-5-15-42/h3-34H,1-2H3
InChIKeyYPHSFLATJJIBBO-UHFFFAOYSA-N
XLogP13.20
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.89
LogP ≤ 513.20
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

5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310631
5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310677
5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310611
N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine
CID 121310702
5-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;12-phenyl-5-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide
CID 161379261
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310651
5-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 158459406
5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310256
5-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310310
5-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310710
5-(3,5-diphenylphenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310570
9,9-dimethyl-7-[10-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)anthracen-9-yl]fluorene-2-carbonitrile
CID 121310650

Frequently Asked Questions

What is the IUPAC name of 5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The IUPAC name of 5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide (CID 121310688) is 5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide.
What is the SMILES notation for 5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The canonical SMILES for 5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide is CC1(C)c2cc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4ccccc4P6(=O)c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21.
What is the InChIKey of 5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The InChIKey is YPHSFLATJJIBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38NOP/c1-55(2)48-33-39(24-28-43(48)44-29-25-40(34-49(44)55)38-21-20-35-12-6-7-13-37(35)32-38)36-22-26-41(27-23-36)56-50-18-10-8-17-47(50)53-51(56)31-30-46-45-16-9-11-19-52(45)58(57,54(46)53)42-14-4-3-5-15-42/h3-34H,1-2H3.
What are the key properties of 5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide has a molecular weight of 759.89 g/mol, XLogP of 13.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide is sourced from PubChem (CID 121310688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).