N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4,4a-dihydrofluoren-2-amine

C68H47NS — CID 121381460

IUPACN-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4,4a-dihydrofluoren-2-amine
SMILESC1=C(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)C=C2C(C1)c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C68H47NS/c1-4-18-48(19-5-1)67(61-28-14-10-24-55(61)56-25-11-15-29-62(56)67)51-35-39-53(40-36-51)69(52-37-32-46(33-38-52)47-34-43-66-60(44-47)59-27-13-17-31-65(59)70-66)54-41-42-58-57-26-12-16-30-63(57)68(64(58)45-54,49-20-6-2-7-21-49)50-22-8-3-9-23-50/h1-41,43-45,58H,42H2
InChIKeyXGNDAHLPELEFBZ-UHFFFAOYSA-N
MW910.20 g/mol
LogP17.57
Rot. Bonds8

About N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4,4a-dihydrofluoren-2-amine

N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4,4a-dihydrofluoren-2-amine (PubChem CID 121381460) has the molecular formula C68H47NS and a molecular weight of 910.20 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4,4a-dihydrofluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4,4a-dihydrofluoren-2-amine
PubChem CID121381460
Molecular FormulaC68H47NS
Molecular Weight910.20 g/mol
Exact Mass909.34
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4,4a-dihydrofluoren-2-amine
SMILESC1=C(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)C=C2C(C1)c1ccccc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C68H47NS/c1-4-18-48(19-5-1)67(61-28-14-10-24-55(61)56-25-11-15-29-62(56)67)51-35-39-53(40-36-51)69(52-37-32-46(33-38-52)47-34-43-66-60(44-47)59-27-13-17-31-65(59)70-66)54-41-42-58-57-26-12-16-30-63(57)68(64(58)45-54,49-20-6-2-7-21-49)50-22-8-3-9-23-50/h1-41,43-45,58H,42H2
InChIKeyXGNDAHLPELEFBZ-UHFFFAOYSA-N
XLogP17.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.20
LogP ≤ 517.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 121381508
N-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 118004621
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381708
N-(4-dibenzothiophen-2-ylphenyl)-2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840050
N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425102
9-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593298
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-2-amine
CID 121381480
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424718
N,8-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-2-amine
CID 138669021
8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;N-phenyl-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 163980178
2-dibenzothiophen-2-yl-N-[4-[4-[N-(2-dibenzothiophen-2-yl-6-methylphenyl)-4-(9,9-diphenylfluoren-2-yl)anilino]-3-methylphenyl]-2-methylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-methylaniline
CID 121323378
N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 177116801

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4,4a-dihydrofluoren-2-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4,4a-dihydrofluoren-2-amine (CID 121381460) is N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4,4a-dihydrofluoren-2-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4,4a-dihydrofluoren-2-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4,4a-dihydrofluoren-2-amine is C1=C(N(c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)C=C2C(C1)c1ccccc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4,4a-dihydrofluoren-2-amine?
The InChIKey is XGNDAHLPELEFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47NS/c1-4-18-48(19-5-1)67(61-28-14-10-24-55(61)56-25-11-15-29-62(56)67)51-35-39-53(40-36-51)69(52-37-32-46(33-38-52)47-34-43-66-60(44-47)59-27-13-17-31-65(59)70-66)54-41-42-58-57-26-12-16-30-63(57)68(64(58)45-54,49-20-6-2-7-21-49)50-22-8-3-9-23-50/h1-41,43-45,58H,42H2.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4,4a-dihydrofluoren-2-amine?
N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4,4a-dihydrofluoren-2-amine has a molecular weight of 910.20 g/mol, XLogP of 17.57, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-4,4a-dihydrofluoren-2-amine is sourced from PubChem (CID 121381460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).