N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine

C132H85N3S3 — CID 163990903

IUPACN-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine
SMILESc1ccc2c(-c3ccc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5cc6ccccc6c6ccccc56)cc4)cc3)cccc2c1.c1ccc2c(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4cc5ccccc5c5ccccc45)cc3)cccc2c1.c1ccc2cc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4cc5ccccc5c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C48H31NS.2C42H27NS/c1-3-13-39-34(10-1)12-9-18-40(39)35-22-20-32(21-23-35)33-24-26-37(27-25-33)49(38-28-29-45-44-17-7-8-19-47(44)50-48(45)31-38)46-30-36-11-2-4-14-41(36)42-15-5-6-16-43(42)46;1-3-13-33-28(10-1)12-9-18-34(33)29-20-22-31(23-21-29)43(32-24-25-39-38-17-7-8-19-41(38)44-42(39)27-32)40-26-30-11-2-4-14-35(30)36-15-5-6-16-37(36)40;1-2-10-30-25-31(18-17-28(30)9-1)29-19-21-33(22-20-29)43(34-23-24-39-38-15-7-8-16-41(38)44-42(39)27-34)40-26-32-11-3-4-12-35(32)36-13-5-6-14-37(36)40/h1-31H;2*1-27H
InChIKeyUANMQDXOEXRLHR-UHFFFAOYSA-N
MW1809.35 g/mol
LogP39.62
Rot. Bonds13

About N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine

N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine (PubChem CID 163990903) has the molecular formula C132H85N3S3 and a molecular weight of 1809.35 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine
PubChem CID163990903
Molecular FormulaC132H85N3S3
Molecular Weight1809.35 g/mol
Exact Mass1807.59
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine
SMILESc1ccc2c(-c3ccc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5cc6ccccc6c6ccccc56)cc4)cc3)cccc2c1.c1ccc2c(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4cc5ccccc5c5ccccc45)cc3)cccc2c1.c1ccc2cc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4cc5ccccc5c5ccccc45)cc3)ccc2c1
InChIInChI=1S/C48H31NS.2C42H27NS/c1-3-13-39-34(10-1)12-9-18-40(39)35-22-20-32(21-23-35)33-24-26-37(27-25-33)49(38-28-29-45-44-17-7-8-19-47(44)50-48(45)31-38)46-30-36-11-2-4-14-41(36)42-15-5-6-16-43(42)46;1-3-13-33-28(10-1)12-9-18-34(33)29-20-22-31(23-21-29)43(32-24-25-39-38-17-7-8-19-41(38)44-42(39)27-32)40-26-30-11-2-4-14-35(30)36-15-5-6-16-37(36)40;1-2-10-30-25-31(18-17-28(30)9-1)29-19-21-33(22-20-29)43(34-23-24-39-38-15-7-8-16-41(38)44-42(39)27-34)40-26-32-11-3-4-12-35(32)36-13-5-6-14-37(36)40/h1-31H;2*1-27H
InChIKeyUANMQDXOEXRLHR-UHFFFAOYSA-N
XLogP39.62
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001809.35
LogP ≤ 539.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine with MolForge

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Related Compounds

N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine
CID 163769563
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-3-amine;N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 163818841
N-chrysen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 170130743
2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326082
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167235827
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 139355163
N-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-5-phenylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine
CID 158594661
N-(3-dibenzothiophen-4-yl-4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-2-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzothiophen-2-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-(3-dibenzothiophen-4-yl-4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 161177899
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 139352901
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)phenanthren-9-amine
CID 167324405
N-phenanthren-3-yl-N-(4-phenanthren-1-ylphenyl)dibenzothiophen-3-amine
CID 168809970
N-(4-dibenzothiophen-3-ylphenyl)-2-(3-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 168846088

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine (CID 163990903) is N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine is c1ccc2c(-c3ccc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5cc6ccccc6c6ccccc56)cc4)cc3)cccc2c1.c1ccc2c(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4cc5ccccc5c5ccccc45)cc3)cccc2c1.c1ccc2cc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4cc5ccccc5c5ccccc45)cc3)ccc2c1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine?
The InChIKey is UANMQDXOEXRLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NS.2C42H27NS/c1-3-13-39-34(10-1)12-9-18-40(39)35-22-20-32(21-23-35)33-24-26-37(27-25-33)49(38-28-29-45-44-17-7-8-19-47(44)50-48(45)31-38)46-30-36-11-2-4-14-41(36)42-15-5-6-16-43(42)46;1-3-13-33-28(10-1)12-9-18-34(33)29-20-22-31(23-21-29)43(32-24-25-39-38-17-7-8-19-41(38)44-42(39)27-32)40-26-30-11-2-4-14-35(30)36-15-5-6-16-37(36)40;1-2-10-30-25-31(18-17-28(30)9-1)29-19-21-33(22-20-29)43(34-23-24-39-38-15-7-8-16-41(38)44-42(39)27-34)40-26-32-11-3-4-12-35(32)36-13-5-6-14-37(36)40/h1-31H;2*1-27H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine?
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine has a molecular weight of 1809.35 g/mol, XLogP of 39.62, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-phenanthren-9-yldibenzothiophen-3-amine;N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yldibenzothiophen-3-amine is sourced from PubChem (CID 163990903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).