3,6-dibutyl-9-[4-[2-(3,6-dibutylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]carbazole

C50H54N4 — CID 146355720

IUPAC3,6-dibutyl-9-[4-[2-(3,6-dibutylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]carbazole
SMILESCCCCc1ccc2c(c1)c1cc(CCCC)ccc1n2-c1cc(-c2ccnc(-n3c4ccc(CCCC)cc4c4cc(CCCC)ccc43)c2)ccn1
InChIInChI=1S/C50H54N4/c1-5-9-13-35-17-21-45-41(29-35)42-30-36(14-10-6-2)18-22-46(42)53(45)49-33-39(25-27-51-49)40-26-28-52-50(34-40)54-47-23-19-37(15-11-7-3)31-43(47)44-32-38(16-12-8-4)20-24-48(44)54/h17-34H,5-16H2,1-4H3
InChIKeyVRJCSLXIQFBKOE-UHFFFAOYSA-N
MW711.01 g/mol
LogP13.71
Rot. Bonds15

About 3,6-dibutyl-9-[4-[2-(3,6-dibutylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]carbazole

3,6-dibutyl-9-[4-[2-(3,6-dibutylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]carbazole (PubChem CID 146355720) has the molecular formula C50H54N4 and a molecular weight of 711.01 g/mol. Its IUPAC name is 3,6-dibutyl-9-[4-[2-(3,6-dibutylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]carbazole.

Molecular Properties

Compound Name3,6-dibutyl-9-[4-[2-(3,6-dibutylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]carbazole
PubChem CID146355720
Molecular FormulaC50H54N4
Molecular Weight711.01 g/mol
Exact Mass710.43
IUPAC Name3,6-dibutyl-9-[4-[2-(3,6-dibutylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]carbazole
SMILESCCCCc1ccc2c(c1)c1cc(CCCC)ccc1n2-c1cc(-c2ccnc(-n3c4ccc(CCCC)cc4c4cc(CCCC)ccc43)c2)ccn1
InChIInChI=1S/C50H54N4/c1-5-9-13-35-17-21-45-41(29-35)42-30-36(14-10-6-2)18-22-46(42)53(45)49-33-39(25-27-51-49)40-26-28-52-50(34-40)54-47-23-19-37(15-11-7-3)31-43(47)44-32-38(16-12-8-4)20-24-48(44)54/h17-34H,5-16H2,1-4H3
InChIKeyVRJCSLXIQFBKOE-UHFFFAOYSA-N
XLogP13.71
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.01
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-butylphenyl)-2-methylpyridine
CID 154955904
3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole
CID 59845057
6-butyl-9-(4-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]carbazole
CID 153441138
CID 174005636
CID 174005636
9-(4-butyl-2-pyridinyl)-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-6-hexylcarbazole
CID 153441094
3,6-dibutyl-9-[4-[4-[3-[4-(3-butylcarbazol-9-yl)phenyl]-4-pyridinyl]-3-pyridinyl]phenyl]carbazole
CID 146355722
6-butyl-2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)-5-propylphenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153441944
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-6-hexyl-9-(4-pentyl-2-pyridinyl)carbazole
CID 153441368
3-butyl-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306813
9-[4,6-bis(5-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-3,6-dibutylcarbazole
CID 58518453
9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 163903365
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-methyl-2-pyridinyl)-6-pentylcarbazole
CID 153442440

Frequently Asked Questions

What is the IUPAC name of 3,6-dibutyl-9-[4-[2-(3,6-dibutylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]carbazole?
The IUPAC name of 3,6-dibutyl-9-[4-[2-(3,6-dibutylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]carbazole (CID 146355720) is 3,6-dibutyl-9-[4-[2-(3,6-dibutylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]carbazole.
What is the SMILES notation for 3,6-dibutyl-9-[4-[2-(3,6-dibutylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]carbazole?
The canonical SMILES for 3,6-dibutyl-9-[4-[2-(3,6-dibutylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]carbazole is CCCCc1ccc2c(c1)c1cc(CCCC)ccc1n2-c1cc(-c2ccnc(-n3c4ccc(CCCC)cc4c4cc(CCCC)ccc43)c2)ccn1.
What is the InChIKey of 3,6-dibutyl-9-[4-[2-(3,6-dibutylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]carbazole?
The InChIKey is VRJCSLXIQFBKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H54N4/c1-5-9-13-35-17-21-45-41(29-35)42-30-36(14-10-6-2)18-22-46(42)53(45)49-33-39(25-27-51-49)40-26-28-52-50(34-40)54-47-23-19-37(15-11-7-3)31-43(47)44-32-38(16-12-8-4)20-24-48(44)54/h17-34H,5-16H2,1-4H3.
What are the key properties of 3,6-dibutyl-9-[4-[2-(3,6-dibutylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]carbazole?
3,6-dibutyl-9-[4-[2-(3,6-dibutylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]carbazole has a molecular weight of 711.01 g/mol, XLogP of 13.71, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibutyl-9-[4-[2-(3,6-dibutylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]carbazole is sourced from PubChem (CID 146355720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).