N-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine

C45H38NP — CID 144614658

IUPACN-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine
SMILESCc1ccc(N(c2cccc(P(C)C)c2)c2cc3c(c4ccccc24)-c2ccc(C)cc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C45H38NP/c1-31-22-25-35(26-23-31)46(36-18-13-19-37(29-36)47(3)4)43-30-42-44(39-21-12-11-20-38(39)43)40-27-24-32(2)28-41(40)45(42,33-14-7-5-8-15-33)34-16-9-6-10-17-34/h5-30H,1-4H3
InChIKeyPIGFESXTPDLNSY-UHFFFAOYSA-N
MW623.78 g/mol
LogP11.66
Rot. Bonds6

About N-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine

N-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine (PubChem CID 144614658) has the molecular formula C45H38NP and a molecular weight of 623.78 g/mol. Its IUPAC name is N-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine.

Molecular Properties

Compound NameN-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine
PubChem CID144614658
Molecular FormulaC45H38NP
Molecular Weight623.78 g/mol
Exact Mass623.27
IUPAC NameN-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine
SMILESCc1ccc(N(c2cccc(P(C)C)c2)c2cc3c(c4ccccc24)-c2ccc(C)cc2C3(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C45H38NP/c1-31-22-25-35(26-23-31)46(36-18-13-19-37(29-36)47(3)4)43-30-42-44(39-21-12-11-20-38(39)43)40-27-24-32(2)28-41(40)45(42,33-14-7-5-8-15-33)34-16-9-6-10-17-34/h5-30H,1-4H3
InChIKeyPIGFESXTPDLNSY-UHFFFAOYSA-N
XLogP11.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.78
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-methyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)-N-phenylcarbazol-4-amine;toluene;1,2-xylene
CID 144614546
9-N-[4-(ethylamino)phenyl]-5-N,9-N-bis(4-methylphenyl)-7,7-diphenyl-5-N-[4-(trimethyl-λ4-sulfanyl)phenyl]benzo[c]fluorene-5,9-diamine
CID 170242982
N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine
CID 144614268
5-N-(6H-benzo[c]chromen-3-yl)-7,7-bis(3-methylphenyl)-5-N,9-N,9-N-triphenylbenzo[c]fluorene-5,9-diamine
CID 144614567
5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine
CID 126550480
3,10-bis(2,4-dimethylphenyl)-N,N,24,24-tetraphenylheptacyclo[14.10.1.02,11.04,9.012,27.017,25.018,23]heptacosa-1(26),2,4,6,8,10,12,14,16(27),17(25),18(23),19,21-tridecaen-21-amine
CID 154939134
N-dibenzothiophen-4-yl-9-ethyl-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)carbazol-2-amine
CID 144613701
5-N,18-N-bis(4-methylphenyl)-5-N,18-N,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 88594459
5-N,5-N,9-N,9-N-tetraphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 59755274
3-[dibenzothiophen-4-yl-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)amino]benzonitrile
CID 144614681
5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene
CID 142714191
N-[4-[4-(N-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methylanilino)phenyl]phenyl]-7,7-dimethyl-N-(4-methylphenyl)benzo[c]fluoren-5-amine;N-[4-[4-(N-(7,7-dimethylbenzo[c]fluoren-5-yl)-3-phenylanilino)phenyl]phenyl]-7,7-dimethyl-N-(3-phenylphenyl)benzo[c]fluoren-5-amine
CID 159608670

Frequently Asked Questions

What is the IUPAC name of N-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine?
The IUPAC name of N-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine (CID 144614658) is N-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine.
What is the SMILES notation for N-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine?
The canonical SMILES for N-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine is Cc1ccc(N(c2cccc(P(C)C)c2)c2cc3c(c4ccccc24)-c2ccc(C)cc2C3(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine?
The InChIKey is PIGFESXTPDLNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H38NP/c1-31-22-25-35(26-23-31)46(36-18-13-19-37(29-36)47(3)4)43-30-42-44(39-21-12-11-20-38(39)43)40-27-24-32(2)28-41(40)45(42,33-14-7-5-8-15-33)34-16-9-6-10-17-34/h5-30H,1-4H3.
What are the key properties of N-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine?
N-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine has a molecular weight of 623.78 g/mol, XLogP of 11.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dimethylphosphanylphenyl)-9-methyl-N-(4-methylphenyl)-7,7-diphenylbenzo[c]fluoren-5-amine is sourced from PubChem (CID 144614658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).