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

C55H35NS — CID 121419325

IUPAC6-(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
SMILESc1ccc(N(c2ccccc2)c2ccc3cc(-c4cc5c6c(ccc7cccc(c76)C5(c5ccccc5)c5ccc6c(c5)sc5ccccc56)c4)ccc3c2)cc1
InChIInChI=1S/C55H35NS/c1-4-14-42(15-5-1)55(43-28-30-48-47-20-10-11-22-51(47)57-52(48)35-43)49-21-12-13-36-23-26-40-32-41(34-50(55)54(40)53(36)49)38-24-25-39-33-46(29-27-37(39)31-38)56(44-16-6-2-7-17-44)45-18-8-3-9-19-45/h1-35H
InChIKeyIFSFIFLIOLFCAS-UHFFFAOYSA-N
MW741.96 g/mol
LogP15.35
Rot. Bonds6

About 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

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 (PubChem CID 121419325) has the molecular formula C55H35NS and a molecular weight of 741.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID121419325
Molecular FormulaC55H35NS
Molecular Weight741.96 g/mol
Exact Mass741.25
IUPAC Name6-(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
SMILESc1ccc(N(c2ccccc2)c2ccc3cc(-c4cc5c6c(ccc7cccc(c76)C5(c5ccccc5)c5ccc6c(c5)sc5ccccc56)c4)ccc3c2)cc1
InChIInChI=1S/C55H35NS/c1-4-14-42(15-5-1)55(43-28-30-48-47-20-10-11-22-51(47)57-52(48)35-43)49-21-12-13-36-23-26-40-32-41(34-50(55)54(40)53(36)49)38-24-25-39-33-46(29-27-37(39)31-38)56(44-16-6-2-7-17-44)45-18-8-3-9-19-45/h1-35H
InChIKeyIFSFIFLIOLFCAS-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 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 with MolForge

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Related Compounds

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
N-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 118004621
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 166565662
N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 177116801
9-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593298
9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine
CID 122593297
N,N-bis(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-7-[11-(3-phenylphenyl)benzo[b]fluoren-11-yl]dibenzothiophen-3-amine
CID 163630464
3-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 168767536
N-(4-dibenzothiophen-3-ylphenyl)-3-(6-naphthalen-2-ylnaphthalen-2-yl)-N-phenylaniline
CID 174257627
N-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177100618
N-(4-dibenzothiophen-3-ylphenyl)-N-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-3-phenylaniline
CID 168839988
N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine
CID 174256597

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2ccc3cc(-c4cc5c6c(ccc7cccc(c76)C5(c5ccccc5)c5ccc6c(c5)sc5ccccc56)c4)ccc3c2)cc1.
What is the InChIKey of 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?
The InChIKey is IFSFIFLIOLFCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NS/c1-4-14-42(15-5-1)55(43-28-30-48-47-20-10-11-22-51(47)57-52(48)35-43)49-21-12-13-36-23-26-40-32-41(34-50(55)54(40)53(36)49)38-24-25-39-33-46(29-27-37(39)31-38)56(44-16-6-2-7-17-44)45-18-8-3-9-19-45/h1-35H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 121419325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).