12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide

C45H32NOP — CID 121310803

IUPAC12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3P5(=O)c3ccccc3)ccc21
InChIInChI=1S/C45H32NOP/c1-45(2)38-24-21-30(29-13-5-3-6-14-29)27-36(38)37-28-31(22-25-39(37)45)46-40-19-11-9-17-33(40)34-23-26-42-43(44(34)46)35-18-10-12-20-41(35)48(42,47)32-15-7-4-8-16-32/h3-28H,1-2H3
InChIKeyDMPRCNMPYRMBTC-UHFFFAOYSA-N
MW633.73 g/mol
LogP10.38
Rot. Bonds3

About 12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide

12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide (PubChem CID 121310803) has the molecular formula C45H32NOP and a molecular weight of 633.73 g/mol. Its IUPAC name is 12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide.

Molecular Properties

Compound Name12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
PubChem CID121310803
Molecular FormulaC45H32NOP
Molecular Weight633.73 g/mol
Exact Mass633.22
IUPAC Name12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3P5(=O)c3ccccc3)ccc21
InChIInChI=1S/C45H32NOP/c1-45(2)38-24-21-30(29-13-5-3-6-14-29)27-36(38)37-28-31(22-25-39(37)45)46-40-19-11-9-17-33(40)34-23-26-42-43(44(34)46)35-18-10-12-20-41(35)48(42,47)32-15-7-4-8-16-32/h3-28H,1-2H3
InChIKeyDMPRCNMPYRMBTC-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-phenyl-12-[4-(9-phenylcarbazol-3-yl)phenyl]phosphindolo[3,2-a]carbazole 5-oxide
CID 121310884
5-[4-(9,9-dimethyl-6-phenylfluoren-3-yl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310315
12-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
CID 121310859
(5S)-12-(4-dibenzofuran-3-ylphenyl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
CID 134444525
N-[4-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 121310892
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376
14-phenyl-3-(3-phenylphenyl)-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene 14-oxide
CID 121310905
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
CID 121310437
5-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[3,2-a]carbazole 5-oxide
CID 121310791
12-phenyl-11-(3-phenylphenyl)phosphindolo[2,3-a]carbazole 12-oxide
CID 121310386
5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310256
3-[4-(3,5-diphenylphenyl)phenyl]-14,14-dimethyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene
CID 122464854

Frequently Asked Questions

What is the IUPAC name of 12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide?
The IUPAC name of 12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide (CID 121310803) is 12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide.
What is the SMILES notation for 12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide?
The canonical SMILES for 12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide is CC1(C)c2ccc(-c3ccccc3)cc2-c2cc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3P5(=O)c3ccccc3)ccc21.
What is the InChIKey of 12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide?
The InChIKey is DMPRCNMPYRMBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32NOP/c1-45(2)38-24-21-30(29-13-5-3-6-14-29)27-36(38)37-28-31(22-25-39(37)45)46-40-19-11-9-17-33(40)34-23-26-42-43(44(34)46)35-18-10-12-20-41(35)48(42,47)32-15-7-4-8-16-32/h3-28H,1-2H3.
What are the key properties of 12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide?
12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-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 12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide is sourced from PubChem (CID 121310803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).