N-(7,8-dihydronaphthalen-1-yl)-N-[3-[2-(9-naphtho[2,1-b][1]benzothiol-10-ylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine

C60H40N2S — CID 144907544

IUPACN-(7,8-dihydronaphthalen-1-yl)-N-[3-[2-(9-naphtho[2,1-b][1]benzothiol-10-ylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine
SMILESC1=Cc2cccc(N(c3cccc(-c4ccccc4-c4ccc5c6ccccc6n(-c6ccc7sc8ccc9ccccc9c8c7c6)c5c4)c3)c3cccc4ccccc34)c2CC1
InChIInChI=1S/C60H40N2S/c1-4-23-48-39(14-1)17-12-28-54(48)61(55-29-13-18-40-15-2-5-24-49(40)55)44-20-11-19-42(36-44)46-21-7-8-22-47(46)43-30-33-52-51-26-9-10-27-56(51)62(57(52)37-43)45-32-35-58-53(38-45)60-50-25-6-3-16-41(50)31-34-59(60)63-58/h1-4,6-23,25-38H,5,24H2
InChIKeyQSUVPZGJLQBETD-UHFFFAOYSA-N
MW821.06 g/mol
LogP17.22
Rot. Bonds6

About N-(7,8-dihydronaphthalen-1-yl)-N-[3-[2-(9-naphtho[2,1-b][1]benzothiol-10-ylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine

N-(7,8-dihydronaphthalen-1-yl)-N-[3-[2-(9-naphtho[2,1-b][1]benzothiol-10-ylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine (PubChem CID 144907544) has the molecular formula C60H40N2S and a molecular weight of 821.06 g/mol. Its IUPAC name is N-(7,8-dihydronaphthalen-1-yl)-N-[3-[2-(9-naphtho[2,1-b][1]benzothiol-10-ylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(7,8-dihydronaphthalen-1-yl)-N-[3-[2-(9-naphtho[2,1-b][1]benzothiol-10-ylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine
PubChem CID144907544
Molecular FormulaC60H40N2S
Molecular Weight821.06 g/mol
Exact Mass820.29
IUPAC NameN-(7,8-dihydronaphthalen-1-yl)-N-[3-[2-(9-naphtho[2,1-b][1]benzothiol-10-ylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine
SMILESC1=Cc2cccc(N(c3cccc(-c4ccccc4-c4ccc5c6ccccc6n(-c6ccc7sc8ccc9ccccc9c8c7c6)c5c4)c3)c3cccc4ccccc34)c2CC1
InChIInChI=1S/C60H40N2S/c1-4-23-48-39(14-1)17-12-28-54(48)61(55-29-13-18-40-15-2-5-24-49(40)55)44-20-11-19-42(36-44)46-21-7-8-22-47(46)43-30-33-52-51-26-9-10-27-56(51)62(57(52)37-43)45-32-35-58-53(38-45)60-50-25-6-3-16-41(50)31-34-59(60)63-58/h1-4,6-23,25-38H,5,24H2
InChIKeyQSUVPZGJLQBETD-UHFFFAOYSA-N
XLogP17.22
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.06
LogP ≤ 517.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-N-[3-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 126627950
8-carbazol-9-yl-N,N-dinaphthalen-1-yldibenzothiophen-3-amine
CID 90372254
N-naphthalen-1-yl-N-[3-[2-[9-[4-(3-phenylphenyl)phenyl]carbazol-2-yl]phenyl]phenyl]naphthalen-2-amine
CID 118337362
N-naphthalen-1-yl-N-[3-(9-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-2-yl)phenyl]naphthalen-1-amine
CID 118349365
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine
CID 129085135
N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 169285540
1-N-(7,8-dihydronaphthalen-1-yl)-3-N,3-N-dinaphthalen-1-yl-1-N-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaen-4-yl)benzene-1,3-diamine
CID 163642989
N,N-bis(3-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-10-amine
CID 177116933
2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170298734
N-naphthalen-1-yl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzothiophen-3-amine
CID 129085119
4-N-(3-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine
CID 165017692
9-cyclohexa-1,5-dien-1-yl-N-[4-[2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylfluoren-2-amine
CID 144907545

Frequently Asked Questions

What is the IUPAC name of N-(7,8-dihydronaphthalen-1-yl)-N-[3-[2-(9-naphtho[2,1-b][1]benzothiol-10-ylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine?
The IUPAC name of N-(7,8-dihydronaphthalen-1-yl)-N-[3-[2-(9-naphtho[2,1-b][1]benzothiol-10-ylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine (CID 144907544) is N-(7,8-dihydronaphthalen-1-yl)-N-[3-[2-(9-naphtho[2,1-b][1]benzothiol-10-ylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(7,8-dihydronaphthalen-1-yl)-N-[3-[2-(9-naphtho[2,1-b][1]benzothiol-10-ylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine?
The canonical SMILES for N-(7,8-dihydronaphthalen-1-yl)-N-[3-[2-(9-naphtho[2,1-b][1]benzothiol-10-ylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine is C1=Cc2cccc(N(c3cccc(-c4ccccc4-c4ccc5c6ccccc6n(-c6ccc7sc8ccc9ccccc9c8c7c6)c5c4)c3)c3cccc4ccccc34)c2CC1.
What is the InChIKey of N-(7,8-dihydronaphthalen-1-yl)-N-[3-[2-(9-naphtho[2,1-b][1]benzothiol-10-ylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine?
The InChIKey is QSUVPZGJLQBETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2S/c1-4-23-48-39(14-1)17-12-28-54(48)61(55-29-13-18-40-15-2-5-24-49(40)55)44-20-11-19-42(36-44)46-21-7-8-22-47(46)43-30-33-52-51-26-9-10-27-56(51)62(57(52)37-43)45-32-35-58-53(38-45)60-50-25-6-3-16-41(50)31-34-59(60)63-58/h1-4,6-23,25-38H,5,24H2.
What are the key properties of N-(7,8-dihydronaphthalen-1-yl)-N-[3-[2-(9-naphtho[2,1-b][1]benzothiol-10-ylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine?
N-(7,8-dihydronaphthalen-1-yl)-N-[3-[2-(9-naphtho[2,1-b][1]benzothiol-10-ylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine has a molecular weight of 821.06 g/mol, XLogP of 17.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,8-dihydronaphthalen-1-yl)-N-[3-[2-(9-naphtho[2,1-b][1]benzothiol-10-ylcarbazol-2-yl)phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 144907544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).