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

C147H96N6S3 — CID 158130059

IUPACN-(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
SMILESc1ccc(-c2ccc(N(c3ccc4c(ccc5ccccc54)c3)c3cccc4c3sc3c5ccccc5n(-c5ccccc5)c43)cc2)cc1.c1ccc(-n2c3ccccc3c3sc4c(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(ccc7ccccc76)c5)cccc4c32)cc1.c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cccc3c2sc2c4ccccc4n(-c4ccccc4)c32)cc1
InChIInChI=1S/C51H34N2S.C50H32N2S.C46H30N2S/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;1-2-15-37(16-3-1)52-46-22-9-8-19-44(46)50-48(52)45-21-11-23-47(49(45)53-50)51(39-30-31-43-36(32-39)25-24-34-13-5-7-18-41(34)43)38-28-26-35(27-29-38)42-20-10-14-33-12-4-6-17-40(33)42;1-3-12-31(13-4-1)32-24-26-36(27-25-32)47(37-28-29-39-34(30-37)23-22-33-14-7-8-17-38(33)39)43-21-11-19-41-44-46(49-45(41)43)40-18-9-10-20-42(40)48(44)35-15-5-2-6-16-35/h1-34H;1-32H;1-30H
InChIKeyFSQXPLADBVROIQ-UHFFFAOYSA-N
MW2042.63 g/mol
LogP41.87
Rot. Bonds16

About 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

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 (PubChem CID 158130059) has the molecular formula C147H96N6S3 and a molecular weight of 2042.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID158130059
Molecular FormulaC147H96N6S3
Molecular Weight2042.63 g/mol
Exact Mass2040.69
IUPAC NameN-(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
SMILESc1ccc(-c2ccc(N(c3ccc4c(ccc5ccccc54)c3)c3cccc4c3sc3c5ccccc5n(-c5ccccc5)c43)cc2)cc1.c1ccc(-n2c3ccccc3c3sc4c(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(ccc7ccccc76)c5)cccc4c32)cc1.c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2cccc3c2sc2c4ccccc4n(-c4ccccc4)c32)cc1
InChIInChI=1S/C51H34N2S.C50H32N2S.C46H30N2S/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;1-2-15-37(16-3-1)52-46-22-9-8-19-44(46)50-48(52)45-21-11-23-47(49(45)53-50)51(39-30-31-43-36(32-39)25-24-34-13-5-7-18-41(34)43)38-28-26-35(27-29-38)42-20-10-14-33-12-4-6-17-40(33)42;1-3-12-31(13-4-1)32-24-26-36(27-25-32)47(37-28-29-39-34(30-37)23-22-33-14-7-8-17-38(33)39)43-21-11-19-41-44-46(49-45(41)43)40-18-9-10-20-42(40)48(44)35-15-5-2-6-16-35/h1-34H;1-32H;1-30H
InChIKeyFSQXPLADBVROIQ-UHFFFAOYSA-N
XLogP41.87
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002042.63
LogP ≤ 541.87
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-(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 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-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-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine
CID 166503673
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine
CID 168782174
N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;N-naphthalen-1-yl-9,9-diphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine;N-naphthalen-2-yl-9,9-diphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 161145523
N-naphthalen-1-yl-9,9-diphenyl-N-[3-[9-[3-(3-phenylphenyl)phenyl]carbazol-2-yl]phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[3-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]naphthalen-1-amine;3-phenyl-N-(3-phenylphenyl)-N-[3-[9-[3-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]aniline
CID 158858798
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 160503630
9,9-diphenyl-N-(4-phenylnaphthalen-1-yl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 157367857
9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylnaphthalen-1-yl)fluoren-2-amine;9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine;9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-naphthalen-2-yl-9,9-diphenyl-N-[3-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 161384283
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
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-9-phenylcarbazol-1-amine
CID 177080037

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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc4c(ccc5ccccc54)c3)c3cccc4c3sc3c5ccccc5n(-c5ccccc5)c43)cc2)cc1.c1ccc(-n2c3ccccc3c3sc4c(N(c5ccc(-c6cccc7ccccc67)cc5)c5ccc6c(ccc7ccccc76)c5)cccc4c32)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-(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?
The InChIKey is FSQXPLADBVROIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2S.C50H32N2S.C46H30N2S/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;1-2-15-37(16-3-1)52-46-22-9-8-19-44(46)50-48(52)45-21-11-23-47(49(45)53-50)51(39-30-31-43-36(32-39)25-24-34-13-5-7-18-41(34)43)38-28-26-35(27-29-38)42-20-10-14-33-12-4-6-17-40(33)42;1-3-12-31(13-4-1)32-24-26-36(27-25-32)47(37-28-29-39-34(30-37)23-22-33-14-7-8-17-38(33)39)43-21-11-19-41-44-46(49-45(41)43)40-18-9-10-20-42(40)48(44)35-15-5-2-6-16-35/h1-34H;1-32H;1-30H.
What are the key properties of 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?
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 has a molecular weight of 2042.63 g/mol, XLogP of 41.87, 16 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-(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 is sourced from PubChem (CID 158130059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).