N-bis(4-methylphenyl)phosphanyl-1-[2-[bis(4-methylphenyl)phosphanylamino]-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-amine

C60H50N2P2 — CID 10191150

IUPACN-bis(4-methylphenyl)phosphanyl-1-[2-[bis(4-methylphenyl)phosphanylamino]-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-amine
SMILESCc1ccc(P(Nc2c(-c3ccccc3)cc3ccccc3c2-c2c(NP(c3ccc(C)cc3)c3ccc(C)cc3)c(-c3ccccc3)cc3ccccc23)c2ccc(C)cc2)cc1
InChIInChI=1S/C60H50N2P2/c1-41-23-31-49(32-24-41)63(50-33-25-42(2)26-34-50)61-59-55(45-15-7-5-8-16-45)39-47-19-11-13-21-53(47)57(59)58-54-22-14-12-20-48(54)40-56(46-17-9-6-10-18-46)60(58)62-64(51-35-27-43(3)28-36-51)52-37-29-44(4)30-38-52/h5-40,61-62H,1-4H3
InChIKeyXYGBFKAHGUZLLG-UHFFFAOYSA-N
MW861.02 g/mol
LogP15.15
Rot. Bonds11

About N-bis(4-methylphenyl)phosphanyl-1-[2-[bis(4-methylphenyl)phosphanylamino]-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-amine

N-bis(4-methylphenyl)phosphanyl-1-[2-[bis(4-methylphenyl)phosphanylamino]-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-amine (PubChem CID 10191150) has the molecular formula C60H50N2P2 and a molecular weight of 861.02 g/mol. Its IUPAC name is N-bis(4-methylphenyl)phosphanyl-1-[2-[bis(4-methylphenyl)phosphanylamino]-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-bis(4-methylphenyl)phosphanyl-1-[2-[bis(4-methylphenyl)phosphanylamino]-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-amine
PubChem CID10191150
Molecular FormulaC60H50N2P2
Molecular Weight861.02 g/mol
Exact Mass860.34
IUPAC NameN-bis(4-methylphenyl)phosphanyl-1-[2-[bis(4-methylphenyl)phosphanylamino]-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-amine
SMILESCc1ccc(P(Nc2c(-c3ccccc3)cc3ccccc3c2-c2c(NP(c3ccc(C)cc3)c3ccc(C)cc3)c(-c3ccccc3)cc3ccccc23)c2ccc(C)cc2)cc1
InChIInChI=1S/C60H50N2P2/c1-41-23-31-49(32-24-41)63(50-33-25-42(2)26-34-50)61-59-55(45-15-7-5-8-16-45)39-47-19-11-13-21-53(47)57(59)58-54-22-14-12-20-48(54)40-56(46-17-9-6-10-18-46)60(58)62-64(51-35-27-43(3)28-36-51)52-37-29-44(4)30-38-52/h5-40,61-62H,1-4H3
InChIKeyXYGBFKAHGUZLLG-UHFFFAOYSA-N
XLogP15.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.02
LogP ≤ 515.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265
N-[1-(2-acetamido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]acetamide
CID 102425196
[1-(2-diphenylphosphanyl-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]-diphenylphosphane
CID 10284023
9-anthracen-9-ylanthracene;toluene
CID 86148014
9-[2-(4-methylphenyl)phenyl]phenanthrene
CID 140958639
9-[8-(4-methylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837262
13-hydroxy-10,16-bis(4-methylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 23110717
9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837228
2-(bromomethyl)-1-[2-(bromomethyl)-3-(4-phenylphenyl)naphthalen-1-yl]-3-(4-phenylphenyl)naphthalene
CID 58898275
2-methyl-4-(4-methylphenyl)-1-phenylnaphthalene
CID 46919083
dilithium;1-(2-oxido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate
CID 52936759
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569

Frequently Asked Questions

What is the IUPAC name of N-bis(4-methylphenyl)phosphanyl-1-[2-[bis(4-methylphenyl)phosphanylamino]-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-amine?
The IUPAC name of N-bis(4-methylphenyl)phosphanyl-1-[2-[bis(4-methylphenyl)phosphanylamino]-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-amine (CID 10191150) is N-bis(4-methylphenyl)phosphanyl-1-[2-[bis(4-methylphenyl)phosphanylamino]-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-amine.
What is the SMILES notation for N-bis(4-methylphenyl)phosphanyl-1-[2-[bis(4-methylphenyl)phosphanylamino]-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-amine?
The canonical SMILES for N-bis(4-methylphenyl)phosphanyl-1-[2-[bis(4-methylphenyl)phosphanylamino]-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-amine is Cc1ccc(P(Nc2c(-c3ccccc3)cc3ccccc3c2-c2c(NP(c3ccc(C)cc3)c3ccc(C)cc3)c(-c3ccccc3)cc3ccccc23)c2ccc(C)cc2)cc1.
What is the InChIKey of N-bis(4-methylphenyl)phosphanyl-1-[2-[bis(4-methylphenyl)phosphanylamino]-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-amine?
The InChIKey is XYGBFKAHGUZLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H50N2P2/c1-41-23-31-49(32-24-41)63(50-33-25-42(2)26-34-50)61-59-55(45-15-7-5-8-16-45)39-47-19-11-13-21-53(47)57(59)58-54-22-14-12-20-48(54)40-56(46-17-9-6-10-18-46)60(58)62-64(51-35-27-43(3)28-36-51)52-37-29-44(4)30-38-52/h5-40,61-62H,1-4H3.
What are the key properties of N-bis(4-methylphenyl)phosphanyl-1-[2-[bis(4-methylphenyl)phosphanylamino]-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-amine?
N-bis(4-methylphenyl)phosphanyl-1-[2-[bis(4-methylphenyl)phosphanylamino]-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-amine has a molecular weight of 861.02 g/mol, XLogP of 15.15, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(4-methylphenyl)phosphanyl-1-[2-[bis(4-methylphenyl)phosphanylamino]-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-amine is sourced from PubChem (CID 10191150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).