3,6-bis[4-(3,6-dipropylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

C86H71N3 — CID 59306773

IUPAC3,6-bis[4-(3,6-dipropylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
SMILESCCCc1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-n5c6ccc(CCC)cc6c6cc(CCC)ccc65)cc4)ccc2n3-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C86H71N3/c1-5-16-56-26-44-79-73(50-56)74-51-57(17-6-2)27-45-80(74)87(79)66-38-30-60(31-39-66)64-36-48-83-77(54-64)78-55-65(61-32-40-67(41-33-61)88-81-46-28-58(18-7-3)52-75(81)76-53-59(19-8-4)29-47-82(76)88)37-49-84(78)89(83)68-42-34-63(35-43-68)86-71-24-14-12-22-69(71)85(62-20-10-9-11-21-62)70-23-13-15-25-72(70)86/h9-15,20-55H,5-8,16-19H2,1-4H3
InChIKeyDHXLXZAXQYCIBL-UHFFFAOYSA-N
MW1146.53 g/mol
LogP23.76
Rot. Bonds15

About 3,6-bis[4-(3,6-dipropylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

3,6-bis[4-(3,6-dipropylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 59306773) has the molecular formula C86H71N3 and a molecular weight of 1146.53 g/mol. Its IUPAC name is 3,6-bis[4-(3,6-dipropylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-bis[4-(3,6-dipropylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
PubChem CID59306773
Molecular FormulaC86H71N3
Molecular Weight1146.53 g/mol
Exact Mass1145.56
IUPAC Name3,6-bis[4-(3,6-dipropylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
SMILESCCCc1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-n5c6ccc(CCC)cc6c6cc(CCC)ccc65)cc4)ccc2n3-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C86H71N3/c1-5-16-56-26-44-79-73(50-56)74-51-57(17-6-2)27-45-80(74)87(79)66-38-30-60(31-39-66)64-36-48-83-77(54-64)78-55-65(61-32-40-67(41-33-61)88-81-46-28-58(18-7-3)52-75(81)76-53-59(19-8-4)29-47-82(76)88)37-49-84(78)89(83)68-42-34-63(35-43-68)86-71-24-14-12-22-69(71)85(62-20-10-9-11-21-62)70-23-13-15-25-72(70)86/h9-15,20-55H,5-8,16-19H2,1-4H3
InChIKeyDHXLXZAXQYCIBL-UHFFFAOYSA-N
XLogP23.76
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001146.53
LogP ≤ 523.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-6-propylcarbazole
CID 147345719
3-butyl-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306813
3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307006
4-(9,10-diphenylanthracen-2-yl)-N-[4-[3-(2-methylpropyl)-6-propylcarbazol-9-yl]phenyl]-N-phenylaniline
CID 163570430
3-butyl-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-6-ethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-propan-2-ylcarbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-propylcarbazole
CID 158305492
3-(2-methylpropyl)-9-phenyl-6-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]carbazole
CID 59306914
9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dipropylcarbazole
CID 59844968
9-phenyl-3-[4-[10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-phenyl-3-[4-[4-[10-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 158416546
9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158633984
9-(4-phenylphenyl)-3-[4-[4-[(4-phenylphenyl)methyl]phenyl]phenyl]carbazole
CID 158819686
3-[10-(4-methylphenyl)anthracen-9-yl]-9-(4-phenylphenyl)carbazole
CID 143844267
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[4-(3,6-dipropylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The IUPAC name of 3,6-bis[4-(3,6-dipropylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (CID 59306773) is 3,6-bis[4-(3,6-dipropylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.
What is the SMILES notation for 3,6-bis[4-(3,6-dipropylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The canonical SMILES for 3,6-bis[4-(3,6-dipropylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is CCCc1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-n5c6ccc(CCC)cc6c6cc(CCC)ccc65)cc4)ccc2n3-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 3,6-bis[4-(3,6-dipropylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The InChIKey is DHXLXZAXQYCIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H71N3/c1-5-16-56-26-44-79-73(50-56)74-51-57(17-6-2)27-45-80(74)87(79)66-38-30-60(31-39-66)64-36-48-83-77(54-64)78-55-65(61-32-40-67(41-33-61)88-81-46-28-58(18-7-3)52-75(81)76-53-59(19-8-4)29-47-82(76)88)37-49-84(78)89(83)68-42-34-63(35-43-68)86-71-24-14-12-22-69(71)85(62-20-10-9-11-21-62)70-23-13-15-25-72(70)86/h9-15,20-55H,5-8,16-19H2,1-4H3.
What are the key properties of 3,6-bis[4-(3,6-dipropylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
3,6-bis[4-(3,6-dipropylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole has a molecular weight of 1146.53 g/mol, XLogP of 23.76, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[4-(3,6-dipropylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 59306773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).