11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide

C45H32NOP — CID 121310437

IUPAC11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5ccc6c(c54)P(=O)(c4ccccc4)c4ccccc4-6)cc3)cccc21
InChIInChI=1S/C45H32NOP/c1-45(2)38-19-9-6-17-37(38)42-32(18-12-20-39(42)45)29-23-25-30(26-24-29)46-40-21-10-7-15-33(40)35-27-28-36-34-16-8-11-22-41(34)48(47,44(36)43(35)46)31-13-4-3-5-14-31/h3-28H,1-2H3
InChIKeyXEEQZOGWIMYTEM-UHFFFAOYSA-N
MW633.73 g/mol
LogP10.38
Rot. Bonds3

About 11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide

11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide (PubChem CID 121310437) has the molecular formula C45H32NOP and a molecular weight of 633.73 g/mol. Its IUPAC name is 11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide.

Molecular Properties

Compound Name11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
PubChem CID121310437
Molecular FormulaC45H32NOP
Molecular Weight633.73 g/mol
Exact Mass633.22
IUPAC Name11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
SMILESCC1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5ccc6c(c54)P(=O)(c4ccccc4)c4ccccc4-6)cc3)cccc21
InChIInChI=1S/C45H32NOP/c1-45(2)38-19-9-6-17-37(38)42-32(18-12-20-39(42)45)29-23-25-30(26-24-29)46-40-21-10-7-15-33(40)35-27-28-36-34-16-8-11-22-41(34)48(47,44(36)43(35)46)31-13-4-3-5-14-31/h3-28H,1-2H3
InChIKeyXEEQZOGWIMYTEM-UHFFFAOYSA-N
XLogP10.38
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.73
LogP ≤ 510.38
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-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
12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310510
12-phenyl-11-(3-phenylphenyl)phosphindolo[2,3-a]carbazole 12-oxide
CID 121310386
12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310471
20-[4-(9,9-dimethylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580551
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
11-naphthalen-1-yl-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
CID 121310385
12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
CID 121310803
11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide;11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide;N-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159948216
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310651
5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310631
9-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166960980

Frequently Asked Questions

What is the IUPAC name of 11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide?
The IUPAC name of 11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide (CID 121310437) is 11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide.
What is the SMILES notation for 11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide?
The canonical SMILES for 11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide is CC1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5ccc6c(c54)P(=O)(c4ccccc4)c4ccccc4-6)cc3)cccc21.
What is the InChIKey of 11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide?
The InChIKey is XEEQZOGWIMYTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32NOP/c1-45(2)38-19-9-6-17-37(38)42-32(18-12-20-39(42)45)29-23-25-30(26-24-29)46-40-21-10-7-15-33(40)35-27-28-36-34-16-8-11-22-41(34)48(47,44(36)43(35)46)31-13-4-3-5-14-31/h3-28H,1-2H3.
What are the key properties of 11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide?
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide has a molecular weight of 633.73 g/mol, XLogP of 10.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide is sourced from PubChem (CID 121310437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).