7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine

C120H74F2N8S — CID 155617402

IUPAC7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine
SMILESFc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc(-c6ccc7c8ccccc8n(-c8ccc(F)cc8)c7c6)cc5)c5ccc(-c6ccc(-n7c8ccc(-c9ccc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)cc9)cc8c8cc(-c9ccc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)cc9)ccc87)cc6)c6nsnc56)cc4)cc32)cc1
InChIInChI=1S/C120H74F2N8S/c121-88-47-61-95(62-48-88)129-112-23-11-5-17-102(112)104-65-43-86(73-117(104)129)81-37-51-90(52-38-81)125(91-53-39-82(40-54-91)87-44-66-105-103-18-6-12-24-113(103)130(118(105)74-87)96-63-49-89(122)50-64-96)116-70-67-97(119-120(116)124-131-123-119)83-41-59-94(60-42-83)128-114-68-45-84(79-29-25-75(26-30-79)77-33-55-92(56-34-77)126-108-19-7-1-13-98(108)99-14-2-8-20-109(99)126)71-106(114)107-72-85(46-69-115(107)128)80-31-27-76(28-32-80)78-35-57-93(58-36-78)127-110-21-9-3-15-100(110)101-16-4-10-22-111(101)127/h1-74H
InChIKeyGRUSQZCZRHQTPI-UHFFFAOYSA-N
MW1698.03 g/mol
LogP32.59
Rot. Bonds15

About 7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine

7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine (PubChem CID 155617402) has the molecular formula C120H74F2N8S and a molecular weight of 1698.03 g/mol. Its IUPAC name is 7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine.

Molecular Properties

Compound Name7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine
PubChem CID155617402
Molecular FormulaC120H74F2N8S
Molecular Weight1698.03 g/mol
Exact Mass1696.57
IUPAC Name7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine
SMILESFc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc(-c6ccc7c8ccccc8n(-c8ccc(F)cc8)c7c6)cc5)c5ccc(-c6ccc(-n7c8ccc(-c9ccc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)cc9)cc8c8cc(-c9ccc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)cc9)ccc87)cc6)c6nsnc56)cc4)cc32)cc1
InChIInChI=1S/C120H74F2N8S/c121-88-47-61-95(62-48-88)129-112-23-11-5-17-102(112)104-65-43-86(73-117(104)129)81-37-51-90(52-38-81)125(91-53-39-82(40-54-91)87-44-66-105-103-18-6-12-24-113(103)130(118(105)74-87)96-63-49-89(122)50-64-96)116-70-67-97(119-120(116)124-131-123-119)83-41-59-94(60-42-83)128-114-68-45-84(79-29-25-75(26-30-79)77-33-55-92(56-34-77)126-108-19-7-1-13-98(108)99-14-2-8-20-109(99)126)71-106(114)107-72-85(46-69-115(107)128)80-31-27-76(28-32-80)78-35-57-93(58-36-78)127-110-21-9-3-15-100(110)101-16-4-10-22-111(101)127/h1-74H
InChIKeyGRUSQZCZRHQTPI-UHFFFAOYSA-N
XLogP32.59
TPSA53.67 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001698.03
LogP ≤ 532.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine with MolForge

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Related Compounds

7-[4-(3,6-difluorocarbazol-9-yl)phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine
CID 146251066
7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine
CID 155135880
7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N,N-bis[4-(4-fluorophenyl)phenyl]-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)-N-[4-(4-tritylphenyl)phenyl]-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine;7-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-2,1,3-benzothiadiazol-4-amine
CID 157390328
N,N,7-tris(4-carbazol-9-ylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 146250945
7-(4-benzo[b]carbazol-5-ylphenyl)-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 155135962
7-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 155135956
7-[4-[3,6-bis(4-methoxyphenyl)carbazol-9-yl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 155135859
7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N-[4-(4-methoxyphenyl)phenyl]-N-phenyl-2,1,3-benzothiadiazol-4-amine
CID 155135866
7-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]-N-(4-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine
CID 146250987
7-[4-[3,6-bis[4-(4-tert-butylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis(4-phenylphenyl)-2,1,3-benzothiadiazol-4-amine
CID 155135841
7-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]-2,1,3-benzothiadiazol-4-amine
CID 155617414
7-[9-(4-phenylphenyl)carbazol-3-yl]-N,N-bis[4-[4-(triphenyl-λ4-sulfanyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine
CID 155445466

Frequently Asked Questions

What is the IUPAC name of 7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine?
The IUPAC name of 7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine (CID 155617402) is 7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine.
What is the SMILES notation for 7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine?
The canonical SMILES for 7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine is Fc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc(-c6ccc7c8ccccc8n(-c8ccc(F)cc8)c7c6)cc5)c5ccc(-c6ccc(-n7c8ccc(-c9ccc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)cc9)cc8c8cc(-c9ccc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)cc9)ccc87)cc6)c6nsnc56)cc4)cc32)cc1.
What is the InChIKey of 7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine?
The InChIKey is GRUSQZCZRHQTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H74F2N8S/c121-88-47-61-95(62-48-88)129-112-23-11-5-17-102(112)104-65-43-86(73-117(104)129)81-37-51-90(52-38-81)125(91-53-39-82(40-54-91)87-44-66-105-103-18-6-12-24-113(103)130(118(105)74-87)96-63-49-89(122)50-64-96)116-70-67-97(119-120(116)124-131-123-119)83-41-59-94(60-42-83)128-114-68-45-84(79-29-25-75(26-30-79)77-33-55-92(56-34-77)126-108-19-7-1-13-98(108)99-14-2-8-20-109(99)126)71-106(114)107-72-85(46-69-115(107)128)80-31-27-76(28-32-80)78-35-57-93(58-36-78)127-110-21-9-3-15-100(110)101-16-4-10-22-111(101)127/h1-74H.
What are the key properties of 7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine?
7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine has a molecular weight of 1698.03 g/mol, XLogP of 32.59, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-9-yl]phenyl]-N,N-bis[4-[9-(4-fluorophenyl)carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine is sourced from PubChem (CID 155617402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).