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

C137H90N6S3 — CID 159012631

IUPACN-(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
SMILESc1ccc(-c2ccc(N(c3cc4ccccc4c4ccccc34)c3cccc4c3sc3c5ccccc5n(-c5ccccc5)c43)cc2)cc1.c1ccc(N(c2cc3ccccc3c3ccccc23)c2cccc3c2sc2c4ccccc4n(-c4ccccc4)c32)cc1.c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cccc3c2sc2c4ccccc4n(-c4ccccc4)c32)cc1
InChIInChI=1S/C51H34N2S.C46H30N2S.C40H26N2S/c1-5-18-35(19-6-1)51(36-20-7-2-8-21-36)44-29-15-13-26-40(44)41-33-32-39(34-45(41)51)52(37-22-9-3-10-23-37)47-31-17-28-43-48-50(54-49(43)47)42-27-14-16-30-46(42)53(48)38-24-11-4-12-25-38;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;1-3-15-28(16-4-1)41(37-26-27-14-7-8-19-30(27)31-20-9-10-21-32(31)37)36-25-13-23-34-38-40(43-39(34)36)33-22-11-12-24-35(33)42(38)29-17-5-2-6-18-29/h1-34H;1-30H;1-26H
InChIKeyJSRMGRIWSYVUOG-UHFFFAOYSA-N
MW1916.47 g/mol
LogP39.05
Rot. Bonds15

About 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

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 (PubChem CID 159012631) has the molecular formula C137H90N6S3 and a molecular weight of 1916.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID159012631
Molecular FormulaC137H90N6S3
Molecular Weight1916.47 g/mol
Exact Mass1914.64
IUPAC NameN-(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
SMILESc1ccc(-c2ccc(N(c3cc4ccccc4c4ccccc34)c3cccc4c3sc3c5ccccc5n(-c5ccccc5)c43)cc2)cc1.c1ccc(N(c2cc3ccccc3c3ccccc23)c2cccc3c2sc2c4ccccc4n(-c4ccccc4)c32)cc1.c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cccc3c2sc2c4ccccc4n(-c4ccccc4)c32)cc1
InChIInChI=1S/C51H34N2S.C46H30N2S.C40H26N2S/c1-5-18-35(19-6-1)51(36-20-7-2-8-21-36)44-29-15-13-26-40(44)41-33-32-39(34-45(41)51)52(37-22-9-3-10-23-37)47-31-17-28-43-48-50(54-49(43)47)42-27-14-16-30-46(42)53(48)38-24-11-4-12-25-38;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;1-3-15-28(16-4-1)41(37-26-27-14-7-8-19-30(27)31-20-9-10-21-32(31)37)36-25-13-23-34-38-40(43-39(34)36)33-22-11-12-24-35(33)42(38)29-17-5-2-6-18-29/h1-34H;1-30H;1-26H
InChIKeyJSRMGRIWSYVUOG-UHFFFAOYSA-N
XLogP39.05
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001916.47
LogP ≤ 539.05
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)-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 with MolForge

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Related Compounds

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
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-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 142589044
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-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 153471165
N-(9,9-diphenylfluoren-2-yl)-N-phenylphenanthren-9-amine
CID 142589088
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-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
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)-3,9-diphenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 165155547
N-(3-phenylphenyl)-N-(7,9,9-triphenylfluoren-2-yl)phenanthren-9-amine
CID 155304763

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3cc4ccccc4c4ccccc34)c3cccc4c3sc3c5ccccc5n(-c5ccccc5)c43)cc2)cc1.c1ccc(N(c2cc3ccccc3c3ccccc23)c2cccc3c2sc2c4ccccc4n(-c4ccccc4)c32)cc1.c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cccc3c2sc2c4ccccc4n(-c4ccccc4)c32)cc1.
What is the InChIKey of 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?
The InChIKey is JSRMGRIWSYVUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2S.C46H30N2S.C40H26N2S/c1-5-18-35(19-6-1)51(36-20-7-2-8-21-36)44-29-15-13-26-40(44)41-33-32-39(34-45(41)51)52(37-22-9-3-10-23-37)47-31-17-28-43-48-50(54-49(43)47)42-27-14-16-30-46(42)53(48)38-24-11-4-12-25-38;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;1-3-15-28(16-4-1)41(37-26-27-14-7-8-19-30(27)31-20-9-10-21-32(31)37)36-25-13-23-34-38-40(43-39(34)36)33-22-11-12-24-35(33)42(38)29-17-5-2-6-18-29/h1-34H;1-30H;1-26H.
What are the key properties of 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?
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 has a molecular weight of 1916.47 g/mol, XLogP of 39.05, 15 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)-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 is sourced from PubChem (CID 159012631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).