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

C85H57N3S — CID 134275278

IUPAC3-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
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5sc6ccccc6c45)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)cc2)cc1
InChIInChI=1S/C85H57N3S/c1-7-25-58(26-8-1)60-43-47-67(48-44-60)86(65-33-15-5-16-34-65)70-53-62(76-57-77-74-38-20-23-41-80(74)88(66-35-17-6-18-36-66)83(77)84-82(76)75-39-21-24-42-81(75)89-84)54-71(55-70)87(68-49-45-61(46-50-68)59-27-9-2-10-28-59)69-51-52-73-72-37-19-22-40-78(72)85(79(73)56-69,63-29-11-3-12-30-63)64-31-13-4-14-32-64/h1-57H
InChIKeyBIBMTFYRJGUJQH-UHFFFAOYSA-N
MW1152.48 g/mol
LogP23.46
Rot. Bonds12

About 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

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 (PubChem CID 134275278) has the molecular formula C85H57N3S and a molecular weight of 1152.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID134275278
Molecular FormulaC85H57N3S
Molecular Weight1152.48 g/mol
Exact Mass1151.43
IUPAC Name3-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
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5sc6ccccc6c45)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)cc2)cc1
InChIInChI=1S/C85H57N3S/c1-7-25-58(26-8-1)60-43-47-67(48-44-60)86(65-33-15-5-16-34-65)70-53-62(76-57-77-74-38-20-23-41-80(74)88(66-35-17-6-18-36-66)83(77)84-82(76)75-39-21-24-42-81(75)89-84)54-71(55-70)87(68-49-45-61(46-50-68)59-27-9-2-10-28-59)69-51-52-73-72-37-19-22-40-78(72)85(79(73)56-69,63-29-11-3-12-30-63)64-31-13-4-14-32-64/h1-57H
InChIKeyBIBMTFYRJGUJQH-UHFFFAOYSA-N
XLogP23.46
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001152.48
LogP ≤ 523.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-(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
N-[4-[3,5-bis(9-phenylcarbazol-1-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118289063
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
N-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 165155547
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 118265823
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
N-[3-[3-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118462505
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
3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)cyclohexa-3,5-diene-1,3-diamine;methane;3-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 158429552
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118505688
3-chloro-N-phenyl-5-[3-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 134275273

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5sc6ccccc6c45)cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is BIBMTFYRJGUJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H57N3S/c1-7-25-58(26-8-1)60-43-47-67(48-44-60)86(65-33-15-5-16-34-65)70-53-62(76-57-77-74-38-20-23-41-80(74)88(66-35-17-6-18-36-66)83(77)84-82(76)75-39-21-24-42-81(75)89-84)54-71(55-70)87(68-49-45-61(46-50-68)59-27-9-2-10-28-59)69-51-52-73-72-37-19-22-40-78(72)85(79(73)56-69,63-29-11-3-12-30-63)64-31-13-4-14-32-64/h1-57H.
What are the key properties of 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?
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 has a molecular weight of 1152.48 g/mol, XLogP of 23.46, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134275278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).