5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide

C49H34NOP — CID 121310611

IUPAC5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
SMILESCC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-n3c4ccccc4c4c5c(ccc43)-c3ccccc3P5(=O)c3ccccc3)cc21
InChIInChI=1S/C49H34NOP/c1-49(2)42-29-32(36-20-12-14-31-13-6-7-17-35(31)36)23-25-37(42)38-26-24-33(30-43(38)49)50-44-21-10-8-19-41(44)47-45(50)28-27-40-39-18-9-11-22-46(39)52(51,48(40)47)34-15-4-3-5-16-34/h3-30H,1-2H3
InChIKeySUCLLKTZXAXDIC-UHFFFAOYSA-N
MW683.79 g/mol
LogP11.53
Rot. Bonds3

About 5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide

5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide (PubChem CID 121310611) has the molecular formula C49H34NOP and a molecular weight of 683.79 g/mol. Its IUPAC name is 5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide.

Molecular Properties

Compound Name5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
PubChem CID121310611
Molecular FormulaC49H34NOP
Molecular Weight683.79 g/mol
Exact Mass683.24
IUPAC Name5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
SMILESCC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-n3c4ccccc4c4c5c(ccc43)-c3ccccc3P5(=O)c3ccccc3)cc21
InChIInChI=1S/C49H34NOP/c1-49(2)42-29-32(36-20-12-14-31-13-6-7-17-35(31)36)23-25-37(42)38-26-24-33(30-43(38)49)50-44-21-10-8-19-41(44)47-45(50)28-27-40-39-18-9-11-22-46(39)52(51,48(40)47)34-15-4-3-5-16-34/h3-30H,1-2H3
InChIKeySUCLLKTZXAXDIC-UHFFFAOYSA-N
XLogP11.53
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.79
LogP ≤ 511.53
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-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310688
5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310631
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-[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-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310651
5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310677
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
12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide
CID 121310614
5-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310256
5-(9,10-dinaphthalen-1-ylanthracen-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-(9,10-diphenylanthracen-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-(10-naphthalen-2-ylanthracen-9-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 157412399
N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine
CID 121310702

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The IUPAC name of 5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide (CID 121310611) is 5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide.
What is the SMILES notation for 5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The canonical SMILES for 5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide is CC1(C)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-n3c4ccccc4c4c5c(ccc43)-c3ccccc3P5(=O)c3ccccc3)cc21.
What is the InChIKey of 5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The InChIKey is SUCLLKTZXAXDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34NOP/c1-49(2)42-29-32(36-20-12-14-31-13-6-7-17-35(31)36)23-25-37(42)38-26-24-33(30-43(38)49)50-44-21-10-8-19-41(44)47-45(50)28-27-40-39-18-9-11-22-46(39)52(51,48(40)47)34-15-4-3-5-16-34/h3-30H,1-2H3.
What are the key properties of 5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide has a molecular weight of 683.79 g/mol, XLogP of 11.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide is sourced from PubChem (CID 121310611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).