N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline

C66H42N2OS — CID 168804463

IUPACN-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline
SMILESc1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)sc6ccccc67)cc5)c5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc5)cc4)cc23)cc1
InChIInChI=1S/C66H42N2OS/c1-3-13-45(14-4-1)54-20-11-21-57-59-41-47(32-40-62(59)69-66(54)57)43-25-33-50(34-26-43)67(51-35-27-44(28-36-51)48-31-39-56-55-17-8-10-24-63(55)70-64(56)42-48)52-37-29-46(30-38-52)53-19-12-23-61-65(53)58-18-7-9-22-60(58)68(61)49-15-5-2-6-16-49/h1-42H
InChIKeyYYYZNUFVRYHBBB-UHFFFAOYSA-N
MW911.14 g/mol
LogP19.19
Rot. Bonds8

About N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline

N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline (PubChem CID 168804463) has the molecular formula C66H42N2OS and a molecular weight of 911.14 g/mol. Its IUPAC name is N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline
PubChem CID168804463
Molecular FormulaC66H42N2OS
Molecular Weight911.14 g/mol
Exact Mass910.30
IUPAC NameN-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline
SMILESc1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)sc6ccccc67)cc5)c5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc5)cc4)cc23)cc1
InChIInChI=1S/C66H42N2OS/c1-3-13-45(14-4-1)54-20-11-21-57-59-41-47(32-40-62(59)69-66(54)57)43-25-33-50(34-26-43)67(51-35-27-44(28-36-51)48-31-39-56-55-17-8-10-24-63(55)70-64(56)42-48)52-37-29-46(30-38-52)53-19-12-23-61-65(53)58-18-7-9-22-60(58)68(61)49-15-5-2-6-16-49/h1-42H
InChIKeyYYYZNUFVRYHBBB-UHFFFAOYSA-N
XLogP19.19
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.14
LogP ≤ 519.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline
CID 168804920
N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168804413
N-(4-dibenzothiophen-1-ylphenyl)-4-(9-phenylcarbazol-3-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805112
3-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805388
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 161408674
N-(4-dibenzothiophen-3-ylphenyl)-3,4-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805437
N-(4-carbazol-9-ylphenyl)-4-(6-phenyldibenzofuran-2-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804257
4-(3-carbazol-9-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 168804273
N-(4-dibenzothiophen-2-ylphenyl)-4-(6-phenyldibenzofuran-2-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168804879
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-3-amine
CID 168804690
N-(4-dibenzothiophen-2-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169009618
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-3-amine
CID 165074759

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline?
The IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline (CID 168804463) is N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline.
What is the SMILES notation for N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline?
The canonical SMILES for N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline is c1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc(-c6ccc7c(c6)sc6ccccc67)cc5)c5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc5)cc4)cc23)cc1.
What is the InChIKey of N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline?
The InChIKey is YYYZNUFVRYHBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2OS/c1-3-13-45(14-4-1)54-20-11-21-57-59-41-47(32-40-62(59)69-66(54)57)43-25-33-50(34-26-43)67(51-35-27-44(28-36-51)48-31-39-56-55-17-8-10-24-63(55)70-64(56)42-48)52-37-29-46(30-38-52)53-19-12-23-61-65(53)58-18-7-9-22-60(58)68(61)49-15-5-2-6-16-49/h1-42H.
What are the key properties of N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline?
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline has a molecular weight of 911.14 g/mol, XLogP of 19.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-(6-phenyldibenzofuran-2-yl)aniline is sourced from PubChem (CID 168804463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).