[4-[9-(9,9-dimethyl-10-phenylacridin-2-yl)fluoren-9-yl]cyclohexa-2,4-dien-1-yl]-diphenylphosphane

C52H42NP — CID 155372326

IUPAC[4-[9-(9,9-dimethyl-10-phenylacridin-2-yl)fluoren-9-yl]cyclohexa-2,4-dien-1-yl]-diphenylphosphane
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(C3(C4=CCC(P(c5ccccc5)c5ccccc5)C=C4)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C52H42NP/c1-51(2)47-28-16-17-29-49(47)53(39-18-6-3-7-19-39)50-35-32-38(36-48(50)51)52(45-26-14-12-24-43(45)44-25-13-15-27-46(44)52)37-30-33-42(34-31-37)54(40-20-8-4-9-21-40)41-22-10-5-11-23-41/h3-33,35-36,42H,34H2,1-2H3
InChIKeyORGJFDNEMMAXOD-UHFFFAOYSA-N
MW711.89 g/mol
LogP12.50
Rot. Bonds6

About [4-[9-(9,9-dimethyl-10-phenylacridin-2-yl)fluoren-9-yl]cyclohexa-2,4-dien-1-yl]-diphenylphosphane

[4-[9-(9,9-dimethyl-10-phenylacridin-2-yl)fluoren-9-yl]cyclohexa-2,4-dien-1-yl]-diphenylphosphane (PubChem CID 155372326) has the molecular formula C52H42NP and a molecular weight of 711.89 g/mol. Its IUPAC name is [4-[9-(9,9-dimethyl-10-phenylacridin-2-yl)fluoren-9-yl]cyclohexa-2,4-dien-1-yl]-diphenylphosphane.

Molecular Properties

Compound Name[4-[9-(9,9-dimethyl-10-phenylacridin-2-yl)fluoren-9-yl]cyclohexa-2,4-dien-1-yl]-diphenylphosphane
PubChem CID155372326
Molecular FormulaC52H42NP
Molecular Weight711.89 g/mol
Exact Mass711.31
IUPAC Name[4-[9-(9,9-dimethyl-10-phenylacridin-2-yl)fluoren-9-yl]cyclohexa-2,4-dien-1-yl]-diphenylphosphane
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(C3(C4=CCC(P(c5ccccc5)c5ccccc5)C=C4)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C52H42NP/c1-51(2)47-28-16-17-29-49(47)53(39-18-6-3-7-19-39)50-35-32-38(36-48(50)51)52(45-26-14-12-24-43(45)44-25-13-15-27-46(44)52)37-30-33-42(34-31-37)54(40-20-8-4-9-21-40)41-22-10-5-11-23-41/h3-33,35-36,42H,34H2,1-2H3
InChIKeyORGJFDNEMMAXOD-UHFFFAOYSA-N
XLogP12.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.89
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [4-[9-(9,9-dimethyl-10-phenylacridin-2-yl)fluoren-9-yl]cyclohexa-2,4-dien-1-yl]-diphenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one
CID 140898964
4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline
CID 167214969
9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine
CID 140899053
2-[5-[4-(benzenesulfonyl)phenyl]indeno[1,2-c]pyridin-5-yl]-9,9-dimethyl-10-phenylacridine
CID 155273596
N,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine
CID 167214648
21,21-dimethyl-14-phenylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-anthracene]-9'-one
CID 71249599
18-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118227857
9,9-dimethyl-N-naphthalen-2-yl-10-phenyl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)acridin-2-amine
CID 167214913
9,9-diphenylfluorene;ethane;1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;toluene;2,9,9-trimethyl-10-phenylacridine
CID 162115764
10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene]
CID 140899042
11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene
CID 66805110
9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine
CID 168750142

Frequently Asked Questions

What is the IUPAC name of [4-[9-(9,9-dimethyl-10-phenylacridin-2-yl)fluoren-9-yl]cyclohexa-2,4-dien-1-yl]-diphenylphosphane?
The IUPAC name of [4-[9-(9,9-dimethyl-10-phenylacridin-2-yl)fluoren-9-yl]cyclohexa-2,4-dien-1-yl]-diphenylphosphane (CID 155372326) is [4-[9-(9,9-dimethyl-10-phenylacridin-2-yl)fluoren-9-yl]cyclohexa-2,4-dien-1-yl]-diphenylphosphane.
What is the SMILES notation for [4-[9-(9,9-dimethyl-10-phenylacridin-2-yl)fluoren-9-yl]cyclohexa-2,4-dien-1-yl]-diphenylphosphane?
The canonical SMILES for [4-[9-(9,9-dimethyl-10-phenylacridin-2-yl)fluoren-9-yl]cyclohexa-2,4-dien-1-yl]-diphenylphosphane is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(C3(C4=CCC(P(c5ccccc5)c5ccccc5)C=C4)c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of [4-[9-(9,9-dimethyl-10-phenylacridin-2-yl)fluoren-9-yl]cyclohexa-2,4-dien-1-yl]-diphenylphosphane?
The InChIKey is ORGJFDNEMMAXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42NP/c1-51(2)47-28-16-17-29-49(47)53(39-18-6-3-7-19-39)50-35-32-38(36-48(50)51)52(45-26-14-12-24-43(45)44-25-13-15-27-46(44)52)37-30-33-42(34-31-37)54(40-20-8-4-9-21-40)41-22-10-5-11-23-41/h3-33,35-36,42H,34H2,1-2H3.
What are the key properties of [4-[9-(9,9-dimethyl-10-phenylacridin-2-yl)fluoren-9-yl]cyclohexa-2,4-dien-1-yl]-diphenylphosphane?
[4-[9-(9,9-dimethyl-10-phenylacridin-2-yl)fluoren-9-yl]cyclohexa-2,4-dien-1-yl]-diphenylphosphane has a molecular weight of 711.89 g/mol, XLogP of 12.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[9-(9,9-dimethyl-10-phenylacridin-2-yl)fluoren-9-yl]cyclohexa-2,4-dien-1-yl]-diphenylphosphane is sourced from PubChem (CID 155372326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).