10,10-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine

C63H42N2S — CID 144857145

IUPAC10,10-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4sc4ccccc34)cc2)cc1
InChIInChI=1S/C63H42N2S/c1-5-17-43(18-6-1)44-29-34-50(35-30-44)64(51-36-31-45(32-37-51)46-33-40-59-56(41-46)53-25-13-15-27-58(53)65(59)49-23-11-4-12-24-49)52-38-39-54-57(42-52)63(47-19-7-2-8-20-47,48-21-9-3-10-22-48)61-55-26-14-16-28-60(55)66-62(54)61/h1-42H
InChIKeyPAUKCTOXYOLCQX-UHFFFAOYSA-N
MW859.11 g/mol
LogP17.17
Rot. Bonds8

About 10,10-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine

10,10-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine (PubChem CID 144857145) has the molecular formula C63H42N2S and a molecular weight of 859.11 g/mol. Its IUPAC name is 10,10-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine.

Molecular Properties

Compound Name10,10-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine
PubChem CID144857145
Molecular FormulaC63H42N2S
Molecular Weight859.11 g/mol
Exact Mass858.31
IUPAC Name10,10-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4sc4ccccc34)cc2)cc1
InChIInChI=1S/C63H42N2S/c1-5-17-43(18-6-1)44-29-34-50(35-30-44)64(51-36-31-45(32-37-51)46-33-40-59-56(41-46)53-25-13-15-27-58(53)65(59)49-23-11-4-12-24-49)52-38-39-54-57(42-52)63(47-19-7-2-8-20-47,48-21-9-3-10-22-48)61-55-26-14-16-28-60(55)66-62(54)61/h1-42H
InChIKeyPAUKCTOXYOLCQX-UHFFFAOYSA-N
XLogP17.17
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.11
LogP ≤ 517.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
CID 89426464
N-naphthalen-1-yl-6,6-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b][1]benzothiol-8-amine
CID 144856826
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 118462477
N,9,9-triphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393562
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-10,10-diphenyl-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine
CID 144857168
N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641615
9,9-diphenyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89426449
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;5-(3,5-diphenylphenyl)-1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 165027363
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]dibenzothiophen-3-amine
CID 160655489
N-naphthalen-1-yl-9,9-diphenyl-7-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 71290910
N-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 157084846

Frequently Asked Questions

What is the IUPAC name of 10,10-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine?
The IUPAC name of 10,10-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine (CID 144857145) is 10,10-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine.
What is the SMILES notation for 10,10-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine?
The canonical SMILES for 10,10-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3c-4sc4ccccc34)cc2)cc1.
What is the InChIKey of 10,10-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine?
The InChIKey is PAUKCTOXYOLCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2S/c1-5-17-43(18-6-1)44-29-34-50(35-30-44)64(51-36-31-45(32-37-51)46-33-40-59-56(41-46)53-25-13-15-27-58(53)65(59)49-23-11-4-12-24-49)52-38-39-54-57(42-52)63(47-19-7-2-8-20-47,48-21-9-3-10-22-48)61-55-26-14-16-28-60(55)66-62(54)61/h1-42H.
What are the key properties of 10,10-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine?
10,10-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine has a molecular weight of 859.11 g/mol, XLogP of 17.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)indeno[1,2-b][1]benzothiol-2-amine is sourced from PubChem (CID 144857145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).