N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenylcarbazol-3-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine

C55H35N3S — CID 174294709

IUPACN-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenylcarbazol-3-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine
SMILESc1ccc(-c2nc3ccc4c5cc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5ccc4c3s2)cc1
InChIInChI=1S/C55H35N3S/c1-3-13-39(14-4-1)55-56-51-32-31-46-48(54(51)59-55)30-25-38-24-28-42(34-49(38)46)57(41-26-22-37(23-27-41)45-20-11-15-36-12-7-8-18-44(36)45)43-29-33-53-50(35-43)47-19-9-10-21-52(47)58(53)40-16-5-2-6-17-40/h1-35H
InChIKeySJERFJNIVOWVAC-UHFFFAOYSA-N
MW769.97 g/mol
LogP15.66
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenylcarbazol-3-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine

N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenylcarbazol-3-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine (PubChem CID 174294709) has the molecular formula C55H35N3S and a molecular weight of 769.97 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenylcarbazol-3-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenylcarbazol-3-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine
PubChem CID174294709
Molecular FormulaC55H35N3S
Molecular Weight769.97 g/mol
Exact Mass769.26
IUPAC NameN-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenylcarbazol-3-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine
SMILESc1ccc(-c2nc3ccc4c5cc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5ccc4c3s2)cc1
InChIInChI=1S/C55H35N3S/c1-3-13-39(14-4-1)55-56-51-32-31-46-48(54(51)59-55)30-25-38-24-28-42(34-49(38)46)57(41-26-22-37(23-27-41)45-20-11-15-36-12-7-8-18-44(36)45)43-29-33-53-50(35-43)47-19-9-10-21-52(47)58(53)40-16-5-2-6-17-40/h1-35H
InChIKeySJERFJNIVOWVAC-UHFFFAOYSA-N
XLogP15.66
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.97
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-dibenzofuran-2-yl-N-(4-naphtho[1,2-g][1,3]benzothiazol-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 174294964
N-dibenzofuran-3-yl-2-phenyl-N-(9-phenylcarbazol-2-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine
CID 174294716
N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 150047610
7-N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-N-(9-phenylcarbazol-3-yl)-2-N,7-N-bis(4-phenylphenyl)phenanthrene-2,7-diamine
CID 170267406
N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-8-amine
CID 155034274
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylnaphthalen-2-yl)phenyl]phenanthren-3-amine
CID 168810012
N-(4-naphthalen-1-ylphenyl)-N-phenyl-7-(2-phenylphenyl)benzo[c]carbazol-2-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-2-amine
CID 165001412
3-N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-3-N-(9-phenylcarbazol-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 146663142
N,N-bis(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-diphenylaniline;6-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine;4-phenyl-N-[4-[5-(9-phenylcarbazol-3-yl)thiophen-2-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 165092408
9-[4-(1,3-benzothiazol-2-yl)phenyl]-N-[9-[4-(1,3-benzothiazol-2-yl)phenyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 126585577
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 160850251
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenylcarbazol-3-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenylcarbazol-3-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine (CID 174294709) is N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenylcarbazol-3-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenylcarbazol-3-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenylcarbazol-3-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine is c1ccc(-c2nc3ccc4c5cc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc5ccc4c3s2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenylcarbazol-3-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine?
The InChIKey is SJERFJNIVOWVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3S/c1-3-13-39(14-4-1)55-56-51-32-31-46-48(54(51)59-55)30-25-38-24-28-42(34-49(38)46)57(41-26-22-37(23-27-41)45-20-11-15-36-12-7-8-18-44(36)45)43-29-33-53-50(35-43)47-19-9-10-21-52(47)58(53)40-16-5-2-6-17-40/h1-35H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenylcarbazol-3-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine?
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenylcarbazol-3-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine has a molecular weight of 769.97 g/mol, XLogP of 15.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(9-phenylcarbazol-3-yl)naphtho[1,2-g][1,3]benzothiazol-8-amine is sourced from PubChem (CID 174294709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).