N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine

C67H43N3S — CID 87059766

IUPACN-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C67H43N3S/c1-4-18-44(19-5-1)67(45-20-6-2-7-21-45)58-28-14-10-24-51(58)52-38-36-50(43-59(52)67)68(49-37-40-62-57(42-49)53-25-11-15-29-60(53)69(62)46-22-8-3-9-23-46)47-32-34-48(35-33-47)70-61-30-16-12-27-56(61)65-63(70)41-39-55-54-26-13-17-31-64(54)71-66(55)65/h1-43H
InChIKeyQOBJUVQENQLQNZ-UHFFFAOYSA-N
MW922.17 g/mol
LogP18.08
Rot. Bonds7

About N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine

N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine (PubChem CID 87059766) has the molecular formula C67H43N3S and a molecular weight of 922.17 g/mol. Its IUPAC name is N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
PubChem CID87059766
Molecular FormulaC67H43N3S
Molecular Weight922.17 g/mol
Exact Mass921.32
IUPAC NameN-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C67H43N3S/c1-4-18-44(19-5-1)67(45-20-6-2-7-21-45)58-28-14-10-24-51(58)52-38-36-50(43-59(52)67)68(49-37-40-62-57(42-49)53-25-11-15-29-60(53)69(62)46-22-8-3-9-23-46)47-32-34-48(35-33-47)70-61-30-16-12-27-56(61)65-63(70)41-39-55-54-26-13-17-31-64(54)71-66(55)65/h1-43H
InChIKeyQOBJUVQENQLQNZ-UHFFFAOYSA-N
XLogP18.08
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.17
LogP ≤ 518.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 66585302
N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641615
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
CID 89426464
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
N,5-diphenyl-N-(9-phenylcarbazol-3-yl)-[1]benzothiolo[3,2-c]carbazol-2-amine
CID 89448189
5-(5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-3'-yl)-[1]benzothiolo[3,2-c]carbazole
CID 90057155
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
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 121381231
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)phenyl]fluoren-2-amine
CID 89448271
3-[4-[bis(4-phenylphenyl)methyl]phenyl]-9-dibenzothiophen-2-ylcarbazole;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 158582556
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
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

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine?
The IUPAC name of N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine (CID 87059766) is N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine?
The canonical SMILES for N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)ccc32)cc1.
What is the InChIKey of N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine?
The InChIKey is QOBJUVQENQLQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43N3S/c1-4-18-44(19-5-1)67(45-20-6-2-7-21-45)58-28-14-10-24-51(58)52-38-36-50(43-59(52)67)68(49-37-40-62-57(42-49)53-25-11-15-29-60(53)69(62)46-22-8-3-9-23-46)47-32-34-48(35-33-47)70-61-30-16-12-27-56(61)65-63(70)41-39-55-54-26-13-17-31-64(54)71-66(55)65/h1-43H.
What are the key properties of N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine?
N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine has a molecular weight of 922.17 g/mol, XLogP of 18.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine is sourced from PubChem (CID 87059766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).