N,N-bis(2-phenylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine

C50H35N — CID 155303754

IUPACN,N-bis(2-phenylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3c(N(c4ccccc4-c4ccccc4)c4ccccc4-c4ccccc4)c4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C50H35N/c1-4-18-36(19-5-1)37-32-34-40(35-33-37)49-45-28-12-10-26-43(45)44-27-11-13-29-46(44)50(49)51(47-30-16-14-24-41(47)38-20-6-2-7-21-38)48-31-17-15-25-42(48)39-22-8-3-9-23-39/h1-35H
InChIKeySUPYAIFVOFTWBO-UHFFFAOYSA-N
MW649.84 g/mol
LogP14.13
Rot. Bonds7

About N,N-bis(2-phenylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine

N,N-bis(2-phenylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine (PubChem CID 155303754) has the molecular formula C50H35N and a molecular weight of 649.84 g/mol. Its IUPAC name is N,N-bis(2-phenylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine.

Molecular Properties

Compound NameN,N-bis(2-phenylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine
PubChem CID155303754
Molecular FormulaC50H35N
Molecular Weight649.84 g/mol
Exact Mass649.28
IUPAC NameN,N-bis(2-phenylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine
SMILESc1ccc(-c2ccc(-c3c(N(c4ccccc4-c4ccccc4)c4ccccc4-c4ccccc4)c4ccccc4c4ccccc34)cc2)cc1
InChIInChI=1S/C50H35N/c1-4-18-36(19-5-1)37-32-34-40(35-33-37)49-45-28-12-10-26-43(45)44-27-11-13-29-46(44)50(49)51(47-30-16-14-24-41(47)38-20-6-2-7-21-38)48-31-17-15-25-42(48)39-22-8-3-9-23-39/h1-35H
InChIKeySUPYAIFVOFTWBO-UHFFFAOYSA-N
XLogP14.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.84
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155304911
N-[4-[3-[10-(N,4-dinaphthalen-1-ylanilino)phenanthren-9-yl]phenyl]naphthalen-1-yl]-10-phenyl-N-(2-phenylphenyl)phenanthren-9-amine
CID 155303334
N-[4-(9,10-diphenylphenanthren-3-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 169062413
10-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-[3-[3-[10-(N-[4-(2-phenylphenyl)phenyl]anilino)phenanthren-9-yl]phenyl]phenyl]phenyl]phenanthren-9-amine
CID 155304845
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-2,4-diphenyl-N-(2-phenylphenyl)aniline
CID 169065535
10-naphthalen-1-yl-N-phenyl-N-(2-phenylphenyl)phenanthren-9-amine
CID 155303869
N-(2-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine
CID 155305496
10-naphthalen-1-yl-N-(2-phenylphenyl)-N-(3-phenylphenyl)phenanthren-9-amine
CID 155305179
N-(4-dibenzofuran-1-ylphenyl)-N-(10-phenylphenanthren-9-yl)dibenzofuran-1-amine
CID 155304231
N-[4-(9,10-diphenylphenanthren-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-2-phenylaniline
CID 169064711
N-[4-(2,3-diphenylphenyl)phenyl]-9,10-diphenyl-N-(2-phenylphenyl)phenanthren-3-amine
CID 169063647
11,11-dimethyl-6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 169280252

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-phenylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine?
The IUPAC name of N,N-bis(2-phenylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine (CID 155303754) is N,N-bis(2-phenylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine.
What is the SMILES notation for N,N-bis(2-phenylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine?
The canonical SMILES for N,N-bis(2-phenylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine is c1ccc(-c2ccc(-c3c(N(c4ccccc4-c4ccccc4)c4ccccc4-c4ccccc4)c4ccccc4c4ccccc34)cc2)cc1.
What is the InChIKey of N,N-bis(2-phenylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine?
The InChIKey is SUPYAIFVOFTWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N/c1-4-18-36(19-5-1)37-32-34-40(35-33-37)49-45-28-12-10-26-43(45)44-27-11-13-29-46(44)50(49)51(47-30-16-14-24-41(47)38-20-6-2-7-21-38)48-31-17-15-25-42(48)39-22-8-3-9-23-39/h1-35H.
What are the key properties of N,N-bis(2-phenylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine?
N,N-bis(2-phenylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine has a molecular weight of 649.84 g/mol, XLogP of 14.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-phenylphenyl)-10-(4-phenylphenyl)phenanthren-9-amine is sourced from PubChem (CID 155303754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).