N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-10-phenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-phenanthren-9-yl-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine

C153H100N6S3 — CID 158370679

IUPACN-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-10-phenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-phenanthren-9-yl-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine
SMILESc1ccc(-c2ccc(N(c3cc4ccccc4c4ccccc34)c3cccc4c3sc3c5ccccc5n(-c5ccccc5)c43)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c3sc3c5ccccc5n(-c5ccccc5)c43)cc2)cc1.c1ccc(-n2c3ccccc3c3sc4c(N(c5ccc(-c6cccc7ccccc67)cc5)c5cc6ccccc6c6ccccc56)cccc4c32)cc1
InChIInChI=1S/C57H38N2S.C50H32N2S.C46H30N2S/c1-5-18-39(19-6-1)40-32-34-44(35-33-40)58(53-31-17-28-49-54-56(60-55(49)53)48-27-14-16-30-52(48)59(54)43-24-11-4-12-25-43)45-36-37-47-46-26-13-15-29-50(46)57(51(47)38-45,41-20-7-2-8-21-41)42-22-9-3-10-23-42;1-2-17-36(18-3-1)52-45-26-11-10-23-43(45)50-48(52)44-25-13-27-46(49(44)53-50)51(47-32-35-15-5-7-20-40(35)41-21-8-9-22-42(41)47)37-30-28-34(29-31-37)39-24-12-16-33-14-4-6-19-38(33)39;1-3-14-31(15-4-1)32-26-28-35(29-27-32)47(43-30-33-16-7-8-19-36(33)37-20-9-10-21-38(37)43)42-25-13-23-40-44-46(49-45(40)42)39-22-11-12-24-41(39)48(44)34-17-5-2-6-18-34/h1-38H;1-32H;1-30H
InChIKeyGUONKWHCEDLLDR-UHFFFAOYSA-N
MW2118.73 g/mol
LogP43.53
Rot. Bonds17

About N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-10-phenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-phenanthren-9-yl-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine

N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-10-phenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-phenanthren-9-yl-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine (PubChem CID 158370679) has the molecular formula C153H100N6S3 and a molecular weight of 2118.73 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-10-phenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-phenanthren-9-yl-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-10-phenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-phenanthren-9-yl-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine
PubChem CID158370679
Molecular FormulaC153H100N6S3
Molecular Weight2118.73 g/mol
Exact Mass2116.72
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-10-phenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-phenanthren-9-yl-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine
SMILESc1ccc(-c2ccc(N(c3cc4ccccc4c4ccccc34)c3cccc4c3sc3c5ccccc5n(-c5ccccc5)c43)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c3sc3c5ccccc5n(-c5ccccc5)c43)cc2)cc1.c1ccc(-n2c3ccccc3c3sc4c(N(c5ccc(-c6cccc7ccccc67)cc5)c5cc6ccccc6c6ccccc56)cccc4c32)cc1
InChIInChI=1S/C57H38N2S.C50H32N2S.C46H30N2S/c1-5-18-39(19-6-1)40-32-34-44(35-33-40)58(53-31-17-28-49-54-56(60-55(49)53)48-27-14-16-30-52(48)59(54)43-24-11-4-12-25-43)45-36-37-47-46-26-13-15-29-50(46)57(51(47)38-45,41-20-7-2-8-21-41)42-22-9-3-10-23-42;1-2-17-36(18-3-1)52-45-26-11-10-23-43(45)50-48(52)44-25-13-27-46(49(44)53-50)51(47-32-35-15-5-7-20-40(35)41-21-8-9-22-42(41)47)37-30-28-34(29-31-37)39-24-12-16-33-14-4-6-19-38(33)39;1-3-14-31(15-4-1)32-26-28-35(29-27-32)47(43-30-33-16-7-8-19-36(33)37-20-9-10-21-38(37)43)42-25-13-23-40-44-46(49-45(40)42)39-22-11-12-24-41(39)48(44)34-17-5-2-6-18-34/h1-38H;1-32H;1-30H
InChIKeyGUONKWHCEDLLDR-UHFFFAOYSA-N
XLogP43.53
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002118.73
LogP ≤ 543.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-10-phenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-phenanthren-9-yl-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N,10-diphenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-phenanthren-9-yl-N,10-diphenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-phenanthren-9-yl-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine
CID 159012631
N-(9,9-diphenylfluoren-2-yl)-N,10-diphenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yl-10-phenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-phenanthren-2-yl-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine
CID 158130059
N-(4-fluorophenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]phenanthren-9-amine;N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)phenanthren-9-amine
CID 161018282
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
N-(9,9-diphenylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 153471165
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393429
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221522
9-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 90371969
N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 177114095
4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]phenyl]-N,N-diphenylaniline;N-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]phenyl]phenyl]-N-phenylphenanthren-9-amine
CID 158005966
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)carbazol-1-amine
CID 155004211
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine
CID 166503673

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-10-phenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-phenanthren-9-yl-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-10-phenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-phenanthren-9-yl-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine (CID 158370679) is N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-10-phenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-phenanthren-9-yl-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-10-phenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-phenanthren-9-yl-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-10-phenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-phenanthren-9-yl-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine is c1ccc(-c2ccc(N(c3cc4ccccc4c4ccccc34)c3cccc4c3sc3c5ccccc5n(-c5ccccc5)c43)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c3sc3c5ccccc5n(-c5ccccc5)c43)cc2)cc1.c1ccc(-n2c3ccccc3c3sc4c(N(c5ccc(-c6cccc7ccccc67)cc5)c5cc6ccccc6c6ccccc56)cccc4c32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-10-phenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-phenanthren-9-yl-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine?
The InChIKey is GUONKWHCEDLLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2S.C50H32N2S.C46H30N2S/c1-5-18-39(19-6-1)40-32-34-44(35-33-40)58(53-31-17-28-49-54-56(60-55(49)53)48-27-14-16-30-52(48)59(54)43-24-11-4-12-25-43)45-36-37-47-46-26-13-15-29-50(46)57(51(47)38-45,41-20-7-2-8-21-41)42-22-9-3-10-23-42;1-2-17-36(18-3-1)52-45-26-11-10-23-43(45)50-48(52)44-25-13-27-46(49(44)53-50)51(47-32-35-15-5-7-20-40(35)41-21-8-9-22-42(41)47)37-30-28-34(29-31-37)39-24-12-16-33-14-4-6-19-38(33)39;1-3-14-31(15-4-1)32-26-28-35(29-27-32)47(43-30-33-16-7-8-19-36(33)37-20-9-10-21-38(37)43)42-25-13-23-40-44-46(49-45(40)42)39-22-11-12-24-41(39)48(44)34-17-5-2-6-18-34/h1-38H;1-32H;1-30H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-10-phenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-phenanthren-9-yl-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine?
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-10-phenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-phenanthren-9-yl-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine has a molecular weight of 2118.73 g/mol, XLogP of 43.53, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine;N-(4-naphthalen-1-ylphenyl)-N-phenanthren-9-yl-10-phenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-phenanthren-9-yl-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine is sourced from PubChem (CID 158370679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).