9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine

C136H92N4S2 — CID 157394315

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c5c4sc4ccccc45)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4cc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c5c4sc4ccccc45)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C73H48N2S.C63H44N2S/c1-5-19-49(20-6-1)51-33-39-56(40-34-51)74(59-45-46-61-60-27-13-16-30-66(60)73(67(61)47-59,54-23-9-3-10-24-54)55-25-11-4-12-26-55)57-43-37-53(38-44-57)64-48-65-62-28-14-17-31-68(62)75(58-41-35-52(36-42-58)50-21-7-2-8-22-50)71(65)70-63-29-15-18-32-69(63)76-72(64)70;1-63(2)56-22-12-9-19-50(56)51-38-37-49(39-57(51)63)64(46-31-25-43(26-32-46)41-15-5-3-6-16-41)47-35-29-45(30-36-47)54-40-55-52-20-10-13-23-58(52)65(48-33-27-44(28-34-48)42-17-7-4-8-18-42)61(55)60-53-21-11-14-24-59(53)66-62(54)60/h1-48H;3-40H,1-2H3
InChIKeyBMJRVJYTJCTQHW-UHFFFAOYSA-N
MW1846.39 g/mol
LogP37.91
Rot. Bonds16

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine (PubChem CID 157394315) has the molecular formula C136H92N4S2 and a molecular weight of 1846.39 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine
PubChem CID157394315
Molecular FormulaC136H92N4S2
Molecular Weight1846.39 g/mol
Exact Mass1844.68
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c5c4sc4ccccc45)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4cc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c5c4sc4ccccc45)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C73H48N2S.C63H44N2S/c1-5-19-49(20-6-1)51-33-39-56(40-34-51)74(59-45-46-61-60-27-13-16-30-66(60)73(67(61)47-59,54-23-9-3-10-24-54)55-25-11-4-12-26-55)57-43-37-53(38-44-57)64-48-65-62-28-14-17-31-68(62)75(58-41-35-52(36-42-58)50-21-7-2-8-22-50)71(65)70-63-29-15-18-32-69(63)76-72(64)70;1-63(2)56-22-12-9-19-50(56)51-38-37-49(39-57(51)63)64(46-31-25-43(26-32-46)41-15-5-3-6-16-41)47-35-29-45(30-36-47)54-40-55-52-20-10-13-23-58(52)65(48-33-27-44(28-34-48)42-17-7-4-8-18-42)61(55)60-53-21-11-14-24-59(53)66-62(54)60/h1-48H;3-40H,1-2H3
InChIKeyBMJRVJYTJCTQHW-UHFFFAOYSA-N
XLogP37.91
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001846.39
LogP ≤ 537.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine with MolForge

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Related Compounds

9,9-diphenyl-N-[3-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 135225112
9,9-dimethyl-N-[3-(12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 122578472
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 162233532
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
3-N-(9,9-diphenylfluoren-2-yl)-1-N-phenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 134275278
9,9-dimethyl-N-[3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline
CID 159416339
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]fluoren-2-amine
CID 121391609
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2,6-diphenylphenyl)-9,9-dimethylfluoren-2-amine;N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2,6-diphenylphenyl)-9,9-diphenylfluoren-2-amine;N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2,6-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 161037928
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 158043752
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane
CID 159335093
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-1-[2-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 139384267
9,9-dimethyl-N-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;methane;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162012956

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine (CID 157394315) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c5c4sc4ccccc45)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4cc5c6ccccc6n(-c6ccc(-c7ccccc7)cc6)c5c5c4sc4ccccc45)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine?
The InChIKey is BMJRVJYTJCTQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H48N2S.C63H44N2S/c1-5-19-49(20-6-1)51-33-39-56(40-34-51)74(59-45-46-61-60-27-13-16-30-66(60)73(67(61)47-59,54-23-9-3-10-24-54)55-25-11-4-12-26-55)57-43-37-53(38-44-57)64-48-65-62-28-14-17-31-68(62)75(58-41-35-52(36-42-58)50-21-7-2-8-22-50)71(65)70-63-29-15-18-32-69(63)76-72(64)70;1-63(2)56-22-12-9-19-50(56)51-38-37-49(39-57(51)63)64(46-31-25-43(26-32-46)41-15-5-3-6-16-41)47-35-29-45(30-36-47)54-40-55-52-20-10-13-23-58(52)65(48-33-27-44(28-34-48)42-17-7-4-8-18-42)61(55)60-53-21-11-14-24-59(53)66-62(54)60/h1-48H;3-40H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine has a molecular weight of 1846.39 g/mol, XLogP of 37.91, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 157394315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).