8-[4-(N-dibenzothiophen-4-yl-4-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)-3-[2-(2-phenylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine

C117H84N2S2 — CID 170118562

IUPAC8-[4-(N-dibenzothiophen-4-yl-4-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)-3-[2-(2-phenylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)c4cccc5c4sc4ccc(-c6ccc(N(c7ccc(-c8ccc9c(c8)C8(CCCCC8)c8ccccc8-9)cc7)c7cccc8c7sc7ccccc78)c(-c7ccccc7-c7ccccc7-c7ccccc7)c6)cc45)cc3)cc21
InChIInChI=1S/C117H84N2S2/c1-116(2)104-48-22-18-42-94(104)96-66-58-82(74-106(96)116)76-54-62-84(63-55-76)118(108-50-24-20-44-98(108)92-40-16-14-38-90(92)88-36-12-10-34-86(88)78-30-6-3-7-31-78)111-52-29-47-101-103-73-81(61-69-113(103)121-115(101)111)80-60-68-109(102(72-80)93-41-17-15-39-91(93)89-37-13-11-35-87(89)79-32-8-4-9-33-79)119(110-51-28-46-100-99-45-21-25-53-112(99)120-114(100)110)85-64-56-77(57-65-85)83-59-67-97-95-43-19-23-49-105(95)117(107(97)75-83)70-26-5-27-71-117/h3-4,6-25,28-69,72-75H,5,26-27,70-71H2,1-2H3
InChIKeyASRQWDMBXZZMQI-UHFFFAOYSA-N
MW1582.11 g/mol
LogP33.90
Rot. Bonds15

About 8-[4-(N-dibenzothiophen-4-yl-4-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)-3-[2-(2-phenylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine

8-[4-(N-dibenzothiophen-4-yl-4-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)-3-[2-(2-phenylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine (PubChem CID 170118562) has the molecular formula C117H84N2S2 and a molecular weight of 1582.11 g/mol. Its IUPAC name is 8-[4-(N-dibenzothiophen-4-yl-4-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)-3-[2-(2-phenylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound Name8-[4-(N-dibenzothiophen-4-yl-4-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)-3-[2-(2-phenylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
PubChem CID170118562
Molecular FormulaC117H84N2S2
Molecular Weight1582.11 g/mol
Exact Mass1580.61
IUPAC Name8-[4-(N-dibenzothiophen-4-yl-4-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)-3-[2-(2-phenylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)c4cccc5c4sc4ccc(-c6ccc(N(c7ccc(-c8ccc9c(c8)C8(CCCCC8)c8ccccc8-9)cc7)c7cccc8c7sc7ccccc78)c(-c7ccccc7-c7ccccc7-c7ccccc7)c6)cc45)cc3)cc21
InChIInChI=1S/C117H84N2S2/c1-116(2)104-48-22-18-42-94(104)96-66-58-82(74-106(96)116)76-54-62-84(63-55-76)118(108-50-24-20-44-98(108)92-40-16-14-38-90(92)88-36-12-10-34-86(88)78-30-6-3-7-31-78)111-52-29-47-101-103-73-81(61-69-113(103)121-115(101)111)80-60-68-109(102(72-80)93-41-17-15-39-91(93)89-37-13-11-35-87(89)79-32-8-4-9-33-79)119(110-51-28-46-100-99-45-21-25-53-112(99)120-114(100)110)85-64-56-77(57-65-85)83-59-67-97-95-43-19-23-49-105(95)117(107(97)75-83)70-26-5-27-71-117/h3-4,6-25,28-69,72-75H,5,26-27,70-71H2,1-2H3
InChIKeyASRQWDMBXZZMQI-UHFFFAOYSA-N
XLogP33.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001582.11
LogP ≤ 533.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[4-(N-dibenzothiophen-4-yl-4-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)-3-[2-(2-phenylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine with MolForge

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine
CID 170114784
N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-3-amine
CID 170119142
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-2-phenyldibenzothiophen-4-amine
CID 140919518
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 129085176
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-1-amine
CID 170217891
9,9-dimethyl-N-[4-(2-phenyldibenzothiophen-4-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 140919088
N-(3-dibenzothiophen-2-ylphenyl)-9,9-dimethyl-N-(2-phenylphenyl)-7-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121321713
N-(2-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176987143
N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)fluoranthen-3-amine
CID 67964530
N-[4-[4-[N,2-bis(9,9-dimethylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine;N-[4-[4-[N-dibenzothiophen-2-yl-2-(9,9-dimethylfluoren-2-yl)-6-methylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]dibenzothiophen-2-amine;N-[4-[4-[N-dibenzothiophen-4-yl-2-(9,9-dimethylfluoren-2-yl)-6-methylanilino]-3-methylphenyl]-2-methylphenyl]-N-[2-(9,9-dimethylfluoren-2-yl)-6-methylphenyl]dibenzothiophen-4-amine;N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-[N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)anilino]-3-methylphenyl]-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159587808
7-dibenzothiophen-2-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-4-amine
CID 118193710
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217349

Frequently Asked Questions

What is the IUPAC name of 8-[4-(N-dibenzothiophen-4-yl-4-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)-3-[2-(2-phenylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine?
The IUPAC name of 8-[4-(N-dibenzothiophen-4-yl-4-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)-3-[2-(2-phenylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine (CID 170118562) is 8-[4-(N-dibenzothiophen-4-yl-4-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)-3-[2-(2-phenylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for 8-[4-(N-dibenzothiophen-4-yl-4-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)-3-[2-(2-phenylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine?
The canonical SMILES for 8-[4-(N-dibenzothiophen-4-yl-4-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)-3-[2-(2-phenylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)c4cccc5c4sc4ccc(-c6ccc(N(c7ccc(-c8ccc9c(c8)C8(CCCCC8)c8ccccc8-9)cc7)c7cccc8c7sc7ccccc78)c(-c7ccccc7-c7ccccc7-c7ccccc7)c6)cc45)cc3)cc21.
What is the InChIKey of 8-[4-(N-dibenzothiophen-4-yl-4-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)-3-[2-(2-phenylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine?
The InChIKey is ASRQWDMBXZZMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H84N2S2/c1-116(2)104-48-22-18-42-94(104)96-66-58-82(74-106(96)116)76-54-62-84(63-55-76)118(108-50-24-20-44-98(108)92-40-16-14-38-90(92)88-36-12-10-34-86(88)78-30-6-3-7-31-78)111-52-29-47-101-103-73-81(61-69-113(103)121-115(101)111)80-60-68-109(102(72-80)93-41-17-15-39-91(93)89-37-13-11-35-87(89)79-32-8-4-9-33-79)119(110-51-28-46-100-99-45-21-25-53-112(99)120-114(100)110)85-64-56-77(57-65-85)83-59-67-97-95-43-19-23-49-105(95)117(107(97)75-83)70-26-5-27-71-117/h3-4,6-25,28-69,72-75H,5,26-27,70-71H2,1-2H3.
What are the key properties of 8-[4-(N-dibenzothiophen-4-yl-4-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)-3-[2-(2-phenylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine?
8-[4-(N-dibenzothiophen-4-yl-4-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)-3-[2-(2-phenylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine has a molecular weight of 1582.11 g/mol, XLogP of 33.90, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(N-dibenzothiophen-4-yl-4-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)-3-[2-(2-phenylphenyl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 170118562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).