9-[4-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;2-dibenzothiophen-4-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]-9H-carbazole

C110H70N4S — CID 162102218

IUPAC9-[4-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;2-dibenzothiophen-4-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]-9H-carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4c(-c5cccc6c5sc5ccccc56)ccc5c4[nH]c4ccccc45)cc3)c3ccccc23)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1
InChIInChI=1S/C60H39N3.C50H31NS/c1-7-19-55-49(13-1)50-14-2-8-20-56(50)61(55)46-31-25-40(26-32-46)43-37-44(41-27-33-47(34-28-41)62-57-21-9-3-15-51(57)52-16-4-10-22-58(52)62)39-45(38-43)42-29-35-48(36-30-42)63-59-23-11-5-17-53(59)54-18-6-12-24-60(54)63;1-2-13-31(14-3-1)46-36-17-4-6-19-38(36)47(39-20-7-5-18-37(39)46)32-25-27-33(28-26-32)48-40(29-30-41-34-15-8-10-23-44(34)51-49(41)48)43-22-12-21-42-35-16-9-11-24-45(35)52-50(42)43/h1-39H;1-30,51H
InChIKeyZFARGKDFJJACRJ-UHFFFAOYSA-N
MW1479.86 g/mol
LogP30.64
Rot. Bonds10

About 9-[4-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;2-dibenzothiophen-4-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]-9H-carbazole

9-[4-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;2-dibenzothiophen-4-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]-9H-carbazole (PubChem CID 162102218) has the molecular formula C110H70N4S and a molecular weight of 1479.86 g/mol. Its IUPAC name is 9-[4-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;2-dibenzothiophen-4-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]-9H-carbazole.

Molecular Properties

Compound Name9-[4-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;2-dibenzothiophen-4-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]-9H-carbazole
PubChem CID162102218
Molecular FormulaC110H70N4S
Molecular Weight1479.86 g/mol
Exact Mass1478.53
IUPAC Name9-[4-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;2-dibenzothiophen-4-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]-9H-carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4c(-c5cccc6c5sc5ccccc56)ccc5c4[nH]c4ccccc45)cc3)c3ccccc23)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1
InChIInChI=1S/C60H39N3.C50H31NS/c1-7-19-55-49(13-1)50-14-2-8-20-56(50)61(55)46-31-25-40(26-32-46)43-37-44(41-27-33-47(34-28-41)62-57-21-9-3-15-51(57)52-16-4-10-22-58(52)62)39-45(38-43)42-29-35-48(36-30-42)63-59-23-11-5-17-53(59)54-18-6-12-24-60(54)63;1-2-13-31(14-3-1)46-36-17-4-6-19-38(36)47(39-20-7-5-18-37(39)46)32-25-27-33(28-26-32)48-40(29-30-41-34-15-8-10-23-44(34)51-49(41)48)43-22-12-21-42-35-16-9-11-24-45(35)52-50(42)43/h1-39H;1-30,51H
InChIKeyZFARGKDFJJACRJ-UHFFFAOYSA-N
XLogP30.64
TPSA30.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001479.86
LogP ≤ 530.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;3-[3-(9H-carbazol-1-yl)-5-(4-phenylphenyl)phenyl]-9-phenylcarbazole;3-[3-dibenzothiophen-4-yl-5-(4-phenylphenyl)phenyl]-9-phenylcarbazole
CID 162194345
3-dibenzothiophen-4-yl-2-methyl-9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole
CID 87171646
2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87156373
3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole
CID 162055405
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 70808732
2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87156510
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 122492281
9-[3-(3-dibenzothiophen-4-yl-2,5-diphenylphenyl)phenyl]carbazole
CID 177079249
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121323828
1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496848

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;2-dibenzothiophen-4-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]-9H-carbazole?
The IUPAC name of 9-[4-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;2-dibenzothiophen-4-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]-9H-carbazole (CID 162102218) is 9-[4-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;2-dibenzothiophen-4-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]-9H-carbazole.
What is the SMILES notation for 9-[4-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;2-dibenzothiophen-4-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]-9H-carbazole?
The canonical SMILES for 9-[4-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;2-dibenzothiophen-4-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]-9H-carbazole is c1ccc(-c2c3ccccc3c(-c3ccc(-c4c(-c5cccc6c5sc5ccccc56)ccc5c4[nH]c4ccccc45)cc3)c3ccccc23)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1.
What is the InChIKey of 9-[4-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;2-dibenzothiophen-4-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]-9H-carbazole?
The InChIKey is ZFARGKDFJJACRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3.C50H31NS/c1-7-19-55-49(13-1)50-14-2-8-20-56(50)61(55)46-31-25-40(26-32-46)43-37-44(41-27-33-47(34-28-41)62-57-21-9-3-15-51(57)52-16-4-10-22-58(52)62)39-45(38-43)42-29-35-48(36-30-42)63-59-23-11-5-17-53(59)54-18-6-12-24-60(54)63;1-2-13-31(14-3-1)46-36-17-4-6-19-38(36)47(39-20-7-5-18-37(39)46)32-25-27-33(28-26-32)48-40(29-30-41-34-15-8-10-23-44(34)51-49(41)48)43-22-12-21-42-35-16-9-11-24-45(35)52-50(42)43/h1-39H;1-30,51H.
What are the key properties of 9-[4-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;2-dibenzothiophen-4-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]-9H-carbazole?
9-[4-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;2-dibenzothiophen-4-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]-9H-carbazole has a molecular weight of 1479.86 g/mol, XLogP of 30.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazole;2-dibenzothiophen-4-yl-1-[4-(10-phenylanthracen-9-yl)phenyl]-9H-carbazole is sourced from PubChem (CID 162102218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).