1,1'-biphenyl;cyclohexane;N,N-diphenylaniline;1,2-diphenylbenzene;1,3-diphenylbenzene;ethane;naphthalene;bis(triphenylene)

C166H219N — CID 160666842

IUPAC1,1'-biphenyl;cyclohexane;N,N-diphenylaniline;1,2-diphenylbenzene;1,3-diphenylbenzene;ethane;naphthalene;bis(triphenylene)
SMILESC1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2-c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C18H15N.2C18H12.2C18H14.C12H10.2C10H8.C6H12.19C2H6/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;19*1-2/h1-15H;2*1-12H;2*1-14H;1-10H;2*1-8H;1-6H2;19*1-2H3
InChIKeyRMKLBXFHCOVBKJ-UHFFFAOYSA-N
MW2228.58 g/mol
LogP56.36
Rot. Bonds8

About 1,1'-biphenyl;cyclohexane;N,N-diphenylaniline;1,2-diphenylbenzene;1,3-diphenylbenzene;ethane;naphthalene;bis(triphenylene)

1,1'-biphenyl;cyclohexane;N,N-diphenylaniline;1,2-diphenylbenzene;1,3-diphenylbenzene;ethane;naphthalene;bis(triphenylene) (PubChem CID 160666842) has the molecular formula C166H219N and a molecular weight of 2228.58 g/mol. Its IUPAC name is 1,1'-biphenyl;cyclohexane;N,N-diphenylaniline;1,2-diphenylbenzene;1,3-diphenylbenzene;ethane;naphthalene;bis(triphenylene).

Molecular Properties

Compound Name1,1'-biphenyl;cyclohexane;N,N-diphenylaniline;1,2-diphenylbenzene;1,3-diphenylbenzene;ethane;naphthalene;bis(triphenylene)
PubChem CID160666842
Molecular FormulaC166H219N
Molecular Weight2228.58 g/mol
Exact Mass2226.72
IUPAC Name1,1'-biphenyl;cyclohexane;N,N-diphenylaniline;1,2-diphenylbenzene;1,3-diphenylbenzene;ethane;naphthalene;bis(triphenylene)
SMILESC1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2-c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2ccccc2c1.c1ccc2ccccc2c1
InChIInChI=1S/C18H15N.2C18H12.2C18H14.C12H10.2C10H8.C6H12.19C2H6/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;19*1-2/h1-15H;2*1-12H;2*1-14H;1-10H;2*1-8H;1-6H2;19*1-2H3
InChIKeyRMKLBXFHCOVBKJ-UHFFFAOYSA-N
XLogP56.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms167
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002228.58
LogP ≤ 556.36
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

ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566338
N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline
CID 167323754
4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline
CID 164831564
N-[4-[3-[3-[4-[N-naphthalen-1-yl-3-[3-[4-(N-[4-[4-[2-[4-[4-(N-[4-[3-[3-[4-(N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 166778133
N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenanthren-9-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956539
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324368
N-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 139352860
4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 167297413
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 164831821
N-phenyl-4-(7-phenylnaphthalen-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 139352483

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;cyclohexane;N,N-diphenylaniline;1,2-diphenylbenzene;1,3-diphenylbenzene;ethane;naphthalene;bis(triphenylene)?
The IUPAC name of 1,1'-biphenyl;cyclohexane;N,N-diphenylaniline;1,2-diphenylbenzene;1,3-diphenylbenzene;ethane;naphthalene;bis(triphenylene) (CID 160666842) is 1,1'-biphenyl;cyclohexane;N,N-diphenylaniline;1,2-diphenylbenzene;1,3-diphenylbenzene;ethane;naphthalene;bis(triphenylene).
What is the SMILES notation for 1,1'-biphenyl;cyclohexane;N,N-diphenylaniline;1,2-diphenylbenzene;1,3-diphenylbenzene;ethane;naphthalene;bis(triphenylene)?
The canonical SMILES for 1,1'-biphenyl;cyclohexane;N,N-diphenylaniline;1,2-diphenylbenzene;1,3-diphenylbenzene;ethane;naphthalene;bis(triphenylene) is C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2-c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2ccccc2c1.c1ccc2ccccc2c1.
What is the InChIKey of 1,1'-biphenyl;cyclohexane;N,N-diphenylaniline;1,2-diphenylbenzene;1,3-diphenylbenzene;ethane;naphthalene;bis(triphenylene)?
The InChIKey is RMKLBXFHCOVBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N.2C18H12.2C18H14.C12H10.2C10H8.C6H12.19C2H6/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-9-15(10-4-1)17-13-7-8-14-18(17)16-11-5-2-6-12-16;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-6-5-3-1;19*1-2/h1-15H;2*1-12H;2*1-14H;1-10H;2*1-8H;1-6H2;19*1-2H3.
What are the key properties of 1,1'-biphenyl;cyclohexane;N,N-diphenylaniline;1,2-diphenylbenzene;1,3-diphenylbenzene;ethane;naphthalene;bis(triphenylene)?
1,1'-biphenyl;cyclohexane;N,N-diphenylaniline;1,2-diphenylbenzene;1,3-diphenylbenzene;ethane;naphthalene;bis(triphenylene) has a molecular weight of 2228.58 g/mol, XLogP of 56.36, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;cyclohexane;N,N-diphenylaniline;1,2-diphenylbenzene;1,3-diphenylbenzene;ethane;naphthalene;bis(triphenylene) is sourced from PubChem (CID 160666842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).