N-naphthalen-1-yl-N-[4-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]phenyl]dibenzothiophen-3-amine

C55H35NS — CID 129230952

IUPACN-naphthalen-1-yl-N-[4-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]phenyl]dibenzothiophen-3-amine
SMILESc1ccc(C2(c3cccc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5cccc6ccccc56)cc4)c3)c3cccc4ccc5cccc2c5c34)cc1
InChIInChI=1S/C55H35NS/c1-2-17-41(18-3-1)55(48-22-9-14-38-26-27-39-15-10-23-49(55)54(39)53(38)48)42-19-8-16-40(34-42)36-28-30-43(31-29-36)56(50-24-11-13-37-12-4-5-20-45(37)50)44-32-33-47-46-21-6-7-25-51(46)57-52(47)35-44/h1-35H
InChIKeyPDEQQDUPOHPMBQ-UHFFFAOYSA-N
MW741.96 g/mol
LogP15.35
Rot. Bonds6

About N-naphthalen-1-yl-N-[4-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]phenyl]dibenzothiophen-3-amine

N-naphthalen-1-yl-N-[4-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]phenyl]dibenzothiophen-3-amine (PubChem CID 129230952) has the molecular formula C55H35NS and a molecular weight of 741.96 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[4-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[4-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]phenyl]dibenzothiophen-3-amine
PubChem CID129230952
Molecular FormulaC55H35NS
Molecular Weight741.96 g/mol
Exact Mass741.25
IUPAC NameN-naphthalen-1-yl-N-[4-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]phenyl]dibenzothiophen-3-amine
SMILESc1ccc(C2(c3cccc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5cccc6ccccc56)cc4)c3)c3cccc4ccc5cccc2c5c34)cc1
InChIInChI=1S/C55H35NS/c1-2-17-41(18-3-1)55(48-22-9-14-38-26-27-39-15-10-23-49(55)54(39)53(38)48)42-19-8-16-40(34-42)36-28-30-43(31-29-36)56(50-24-11-13-37-12-4-5-20-45(37)50)44-32-33-47-46-21-6-7-25-51(46)57-52(47)35-44/h1-35H
InChIKeyPDEQQDUPOHPMBQ-UHFFFAOYSA-N
XLogP15.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.96
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-naphthalen-1-yl-N-[4-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]phenyl]dibenzothiophen-3-amine with MolForge

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Related Compounds

N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 177116801
6-(15-dibenzothiophen-3-yl-15-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N,N-diphenylnaphthalen-2-amine
CID 121419325
N-(4-naphthalen-1-ylphenyl)-N-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]naphthalen-1-amine
CID 129230919
4-phenyl-N-(4-phenylphenyl)-N-[4-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]phenyl]aniline
CID 129230929
N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 161138976
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine
CID 174256598
N-(3-dibenzothiophen-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 168767644
7-N-naphthalen-1-yl-2-N,7-N-diphenyl-2-N-[4-[4-[7-(N-phenylanilino)dibenzothiophen-2-yl]phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 129194290
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 168846173
N-[4-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 129230853
N-benzo[c]phenanthren-2-yl-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 167183232
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424565

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[4-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-naphthalen-1-yl-N-[4-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]phenyl]dibenzothiophen-3-amine (CID 129230952) is N-naphthalen-1-yl-N-[4-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[4-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[4-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]phenyl]dibenzothiophen-3-amine is c1ccc(C2(c3cccc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5cccc6ccccc56)cc4)c3)c3cccc4ccc5cccc2c5c34)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-[4-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]phenyl]dibenzothiophen-3-amine?
The InChIKey is PDEQQDUPOHPMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NS/c1-2-17-41(18-3-1)55(48-22-9-14-38-26-27-39-15-10-23-49(55)54(39)53(38)48)42-19-8-16-40(34-42)36-28-30-43(31-29-36)56(50-24-11-13-37-12-4-5-20-45(37)50)44-32-33-47-46-21-6-7-25-51(46)57-52(47)35-44/h1-35H.
What are the key properties of N-naphthalen-1-yl-N-[4-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]phenyl]dibenzothiophen-3-amine?
N-naphthalen-1-yl-N-[4-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]phenyl]dibenzothiophen-3-amine has a molecular weight of 741.96 g/mol, XLogP of 15.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-[4-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 129230952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).