N-naphthalen-1-yl-6,6-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b][1]benzothiol-8-amine

C61H40N2S — CID 144856826

IUPACN-naphthalen-1-yl-6,6-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b][1]benzothiol-8-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5sc7ccccc7c5-6)c5cccc6ccccc56)cc4)ccc32)cc1
InChIInChI=1S/C61H40N2S/c1-4-19-44(20-5-1)61(45-21-6-2-7-22-45)54-40-48(36-37-51(54)59-52-27-13-15-30-58(52)64-60(59)61)62(55-29-16-18-42-17-10-11-25-49(42)55)47-34-31-41(32-35-47)43-33-38-57-53(39-43)50-26-12-14-28-56(50)63(57)46-23-8-3-9-24-46/h1-40H
InChIKeyVDQZDNOFVZNQFG-UHFFFAOYSA-N
MW833.07 g/mol
LogP16.65
Rot. Bonds7

About N-naphthalen-1-yl-6,6-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b][1]benzothiol-8-amine

N-naphthalen-1-yl-6,6-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b][1]benzothiol-8-amine (PubChem CID 144856826) has the molecular formula C61H40N2S and a molecular weight of 833.07 g/mol. Its IUPAC name is N-naphthalen-1-yl-6,6-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b][1]benzothiol-8-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-6,6-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b][1]benzothiol-8-amine
PubChem CID144856826
Molecular FormulaC61H40N2S
Molecular Weight833.07 g/mol
Exact Mass832.29
IUPAC NameN-naphthalen-1-yl-6,6-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b][1]benzothiol-8-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5sc7ccccc7c5-6)c5cccc6ccccc56)cc4)ccc32)cc1
InChIInChI=1S/C61H40N2S/c1-4-19-44(20-5-1)61(45-21-6-2-7-22-45)54-40-48(36-37-51(54)59-52-27-13-15-30-58(52)64-60(59)61)62(55-29-16-18-42-17-10-11-25-49(42)55)47-34-31-41(32-35-47)43-33-38-57-53(39-43)50-26-12-14-28-56(50)63(57)46-23-8-3-9-24-46/h1-40H
InChIKeyVDQZDNOFVZNQFG-UHFFFAOYSA-N
XLogP16.65
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.07
LogP ≤ 516.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-1-yl-9,9-diphenyl-7-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 71290910
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393429
N-[4-[4-[3-[4-[3-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]carbazol-9-yl]phenyl]phenyl]-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 146576508
10,10-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine
CID 144857145
9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)fluoren-2-amine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphthalen-1-amine;1-N-phenyl-1-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-N,4-N-bis[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159440650
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 138710344
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
7-carbazol-9-yl-9,9-dimethyl-N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 71038303
2-carbazol-9-yl-N,N-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-8'-amine;2-N,8-N'-dinaphthalen-1-yl-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine;2-N,8-N'-dinaphthalen-2-yl-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine;8-N'-naphthalen-1-yl-2-N-naphthalen-2-yl-2-N,8-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine;8-N'-naphthalen-1-yl-2-N,2-N,8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 162239348
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
CID 89426464
9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 159946266
9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 71038321

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-6,6-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b][1]benzothiol-8-amine?
The IUPAC name of N-naphthalen-1-yl-6,6-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b][1]benzothiol-8-amine (CID 144856826) is N-naphthalen-1-yl-6,6-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b][1]benzothiol-8-amine.
What is the SMILES notation for N-naphthalen-1-yl-6,6-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b][1]benzothiol-8-amine?
The canonical SMILES for N-naphthalen-1-yl-6,6-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b][1]benzothiol-8-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5sc7ccccc7c5-6)c5cccc6ccccc56)cc4)ccc32)cc1.
What is the InChIKey of N-naphthalen-1-yl-6,6-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b][1]benzothiol-8-amine?
The InChIKey is VDQZDNOFVZNQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2S/c1-4-19-44(20-5-1)61(45-21-6-2-7-22-45)54-40-48(36-37-51(54)59-52-27-13-15-30-58(52)64-60(59)61)62(55-29-16-18-42-17-10-11-25-49(42)55)47-34-31-41(32-35-47)43-33-38-57-53(39-43)50-26-12-14-28-56(50)63(57)46-23-8-3-9-24-46/h1-40H.
What are the key properties of N-naphthalen-1-yl-6,6-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b][1]benzothiol-8-amine?
N-naphthalen-1-yl-6,6-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b][1]benzothiol-8-amine has a molecular weight of 833.07 g/mol, XLogP of 16.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-6,6-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b][1]benzothiol-8-amine is sourced from PubChem (CID 144856826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).