N-[anilino-[1-(2-dianilinophosphanyl-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]phosphanyl]aniline

C56H52N4P2 — CID 20606219

IUPACN-[anilino-[1-(2-dianilinophosphanyl-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]phosphanyl]aniline
SMILESc1ccc(NP(Nc2ccccc2)c2c(-c3ccccc3)cc3c(c2-c2c4c(cc(-c5ccccc5)c2P(Nc2ccccc2)Nc2ccccc2)CCCC4)CCCC3)cc1
InChIInChI=1S/C56H52N4P2/c1-7-23-41(24-8-1)51-39-43-27-19-21-37-49(43)53(55(51)61(57-45-29-11-3-12-30-45)58-46-31-13-4-14-32-46)54-50-38-22-20-28-44(50)40-52(42-25-9-2-10-26-42)56(54)62(59-47-33-15-5-16-34-47)60-48-35-17-6-18-36-48/h1-18,23-26,29-36,39-40,57-60H,19-22,27-28,37-38H2
InChIKeySKJIORMFGHIWMG-UHFFFAOYSA-N
MW843.01 g/mol
LogP14.77
Rot. Bonds13

About N-[anilino-[1-(2-dianilinophosphanyl-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]phosphanyl]aniline

N-[anilino-[1-(2-dianilinophosphanyl-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]phosphanyl]aniline (PubChem CID 20606219) has the molecular formula C56H52N4P2 and a molecular weight of 843.01 g/mol. Its IUPAC name is N-[anilino-[1-(2-dianilinophosphanyl-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]phosphanyl]aniline.

Molecular Properties

Compound NameN-[anilino-[1-(2-dianilinophosphanyl-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]phosphanyl]aniline
PubChem CID20606219
Molecular FormulaC56H52N4P2
Molecular Weight843.01 g/mol
Exact Mass842.37
IUPAC NameN-[anilino-[1-(2-dianilinophosphanyl-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]phosphanyl]aniline
SMILESc1ccc(NP(Nc2ccccc2)c2c(-c3ccccc3)cc3c(c2-c2c4c(cc(-c5ccccc5)c2P(Nc2ccccc2)Nc2ccccc2)CCCC4)CCCC3)cc1
InChIInChI=1S/C56H52N4P2/c1-7-23-41(24-8-1)51-39-43-27-19-21-37-49(43)53(55(51)61(57-45-29-11-3-12-30-45)58-46-31-13-4-14-32-46)54-50-38-22-20-28-44(50)40-52(42-25-9-2-10-26-42)56(54)62(59-47-33-15-5-16-34-47)60-48-35-17-6-18-36-48/h1-18,23-26,29-36,39-40,57-60H,19-22,27-28,37-38H2
InChIKeySKJIORMFGHIWMG-UHFFFAOYSA-N
XLogP14.77
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.01
LogP ≤ 514.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-6,7-diphenyl-1,2,3,4-tetrahydronaphthalene
CID 170671649
[3-phenyl-1-(3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl] hypofluorite
CID 142141369
1-(2-amino-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 175057445
dicyclohexyl-[[1-[2-(dicyclohexylphosphanylmethyl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]phosphane
CID 20606212
1,1,1-trifluoro-N-[13-oxo-10,16-bis(4-phenylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-yl]methanesulfonamide
CID 102260622
1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine
CID 118180101
4-phenyl-1,2-dihydrocyclobuta[a]naphthalene
CID 163649392
2,4,8,10-tetramethyl-6-[3-phenyl-1-[3-phenyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]benzo[d][1,3,2]benzodioxaphosphepine
CID 20758584
N,3-diphenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-amine
CID 14909209
13-[1-[2-(12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 20758576
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(13-oxo-10,16-diphenyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaen-13-yl)octane-1-sulfonamide
CID 102260627
N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)-3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3-trimethylsilyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 20606238

Frequently Asked Questions

What is the IUPAC name of N-[anilino-[1-(2-dianilinophosphanyl-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]phosphanyl]aniline?
The IUPAC name of N-[anilino-[1-(2-dianilinophosphanyl-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]phosphanyl]aniline (CID 20606219) is N-[anilino-[1-(2-dianilinophosphanyl-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]phosphanyl]aniline.
What is the SMILES notation for N-[anilino-[1-(2-dianilinophosphanyl-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]phosphanyl]aniline?
The canonical SMILES for N-[anilino-[1-(2-dianilinophosphanyl-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]phosphanyl]aniline is c1ccc(NP(Nc2ccccc2)c2c(-c3ccccc3)cc3c(c2-c2c4c(cc(-c5ccccc5)c2P(Nc2ccccc2)Nc2ccccc2)CCCC4)CCCC3)cc1.
What is the InChIKey of N-[anilino-[1-(2-dianilinophosphanyl-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]phosphanyl]aniline?
The InChIKey is SKJIORMFGHIWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H52N4P2/c1-7-23-41(24-8-1)51-39-43-27-19-21-37-49(43)53(55(51)61(57-45-29-11-3-12-30-45)58-46-31-13-4-14-32-46)54-50-38-22-20-28-44(50)40-52(42-25-9-2-10-26-42)56(54)62(59-47-33-15-5-16-34-47)60-48-35-17-6-18-36-48/h1-18,23-26,29-36,39-40,57-60H,19-22,27-28,37-38H2.
What are the key properties of N-[anilino-[1-(2-dianilinophosphanyl-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]phosphanyl]aniline?
N-[anilino-[1-(2-dianilinophosphanyl-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]phosphanyl]aniline has a molecular weight of 843.01 g/mol, XLogP of 14.77, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[anilino-[1-(2-dianilinophosphanyl-3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl]phosphanyl]aniline is sourced from PubChem (CID 20606219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).