5-[4-(9,9-dimethyl-6-phenylfluoren-3-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide

C51H36NOP — CID 121310315

IUPAC5-[4-(9,9-dimethyl-6-phenylfluoren-3-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4P6(=O)c4ccccc4)cc3)ccc21
InChIInChI=1S/C51H36NOP/c1-51(2)45-27-23-35(33-13-5-3-6-14-33)29-41(45)42-30-36(24-28-46(42)51)34-21-25-37(26-22-34)52-47-19-11-9-17-39(47)43-32-50-44(31-48(43)52)40-18-10-12-20-49(40)54(50,53)38-15-7-4-8-16-38/h3-32H,1-2H3
InChIKeyABNYYRGXLSYFSM-UHFFFAOYSA-N
MW709.83 g/mol
LogP12.04
Rot. Bonds4

About 5-[4-(9,9-dimethyl-6-phenylfluoren-3-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide

5-[4-(9,9-dimethyl-6-phenylfluoren-3-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide (PubChem CID 121310315) has the molecular formula C51H36NOP and a molecular weight of 709.83 g/mol. Its IUPAC name is 5-[4-(9,9-dimethyl-6-phenylfluoren-3-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide.

Molecular Properties

Compound Name5-[4-(9,9-dimethyl-6-phenylfluoren-3-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
PubChem CID121310315
Molecular FormulaC51H36NOP
Molecular Weight709.83 g/mol
Exact Mass709.25
IUPAC Name5-[4-(9,9-dimethyl-6-phenylfluoren-3-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4P6(=O)c4ccccc4)cc3)ccc21
InChIInChI=1S/C51H36NOP/c1-51(2)45-27-23-35(33-13-5-3-6-14-33)29-41(45)42-30-36(24-28-46(42)51)34-21-25-37(26-22-34)52-47-19-11-9-17-39(47)43-32-50-44(31-48(43)52)40-18-10-12-20-49(40)54(50,53)38-15-7-4-8-16-38/h3-32H,1-2H3
InChIKeyABNYYRGXLSYFSM-UHFFFAOYSA-N
XLogP12.04
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.83
LogP ≤ 512.04
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-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310310
5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310256
N-[4-[4-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 121310285
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310284
12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
CID 121310803
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
5-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310206
5,11-diphenylphosphindolo[3,2-b]carbazole 11-oxide;5-naphthalen-1-yl-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;5-naphthalen-2-yl-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(2-phenylphenyl)phosphindolo[3,2-b]carbazole 11-oxide
CID 158937555
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
9,9-dimethyl-7-[10-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)anthracen-9-yl]fluorene-2-carbonitrile
CID 121310273
5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310688
12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310510

Frequently Asked Questions

What is the IUPAC name of 5-[4-(9,9-dimethyl-6-phenylfluoren-3-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?
The IUPAC name of 5-[4-(9,9-dimethyl-6-phenylfluoren-3-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide (CID 121310315) is 5-[4-(9,9-dimethyl-6-phenylfluoren-3-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide.
What is the SMILES notation for 5-[4-(9,9-dimethyl-6-phenylfluoren-3-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?
The canonical SMILES for 5-[4-(9,9-dimethyl-6-phenylfluoren-3-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide is CC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4P6(=O)c4ccccc4)cc3)ccc21.
What is the InChIKey of 5-[4-(9,9-dimethyl-6-phenylfluoren-3-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?
The InChIKey is ABNYYRGXLSYFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36NOP/c1-51(2)45-27-23-35(33-13-5-3-6-14-33)29-41(45)42-30-36(24-28-46(42)51)34-21-25-37(26-22-34)52-47-19-11-9-17-39(47)43-32-50-44(31-48(43)52)40-18-10-12-20-49(40)54(50,53)38-15-7-4-8-16-38/h3-32H,1-2H3.
What are the key properties of 5-[4-(9,9-dimethyl-6-phenylfluoren-3-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide?
5-[4-(9,9-dimethyl-6-phenylfluoren-3-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide has a molecular weight of 709.83 g/mol, XLogP of 12.04, 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-6-phenylfluoren-3-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide is sourced from PubChem (CID 121310315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).