2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-1-N,1-N,3-N,3-N,4,5,6-heptamethylbenzene-1,3-diamine

C40H40N6O2 — CID 153414646

IUPAC2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-1-N,1-N,3-N,3-N,4,5,6-heptamethylbenzene-1,3-diamine
SMILESCOc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6c(N(C)C)c(C)c(C)c(C)c6N(C)C)cn5)c4)cc32)c1
InChIInChI=1S/C40H40N6O2/c1-25-26(2)39(43(4)5)38(40(27(25)3)44(6)7)28-23-42-45(24-28)29-12-11-13-31(20-29)48-32-16-17-34-33-14-9-10-15-35(33)46(36(34)21-32)37-22-30(47-8)18-19-41-37/h9-24H,1-8H3
InChIKeyHBCYQERCQJILRX-UHFFFAOYSA-N
MW636.80 g/mol
LogP8.89
Rot. Bonds8

About 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-1-N,1-N,3-N,3-N,4,5,6-heptamethylbenzene-1,3-diamine

2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-1-N,1-N,3-N,3-N,4,5,6-heptamethylbenzene-1,3-diamine (PubChem CID 153414646) has the molecular formula C40H40N6O2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-1-N,1-N,3-N,3-N,4,5,6-heptamethylbenzene-1,3-diamine.

Molecular Properties

Compound Name2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-1-N,1-N,3-N,3-N,4,5,6-heptamethylbenzene-1,3-diamine
PubChem CID153414646
Molecular FormulaC40H40N6O2
Molecular Weight636.80 g/mol
Exact Mass636.32
IUPAC Name2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-1-N,1-N,3-N,3-N,4,5,6-heptamethylbenzene-1,3-diamine
SMILESCOc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6c(N(C)C)c(C)c(C)c(C)c6N(C)C)cn5)c4)cc32)c1
InChIInChI=1S/C40H40N6O2/c1-25-26(2)39(43(4)5)38(40(27(25)3)44(6)7)28-23-42-45(24-28)29-12-11-13-31(20-29)48-32-16-17-34-33-14-9-10-15-35(33)46(36(34)21-32)37-22-30(47-8)18-19-41-37/h9-24H,1-8H3
InChIKeyHBCYQERCQJILRX-UHFFFAOYSA-N
XLogP8.89
TPSA60.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-1-N,1-N,3-N,3-N,4,5,6-heptamethylbenzene-1,3-diamine with MolForge

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Related Compounds

9-(4-methoxy-2-pyridinyl)-2-[3-[4-[3,4,5-trimethyl-2,6-bis(methylsulfanyl)phenyl]pyrazol-1-yl]phenoxy]carbazole
CID 153414255
1-N,1-N,3-N,3-N,4,6-hexamethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine
CID 153413011
2-[3-[4-(2,6-dibutyl-3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153414112
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-(2,6-dimethoxy-3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153413685
2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile
CID 153414534
2-[3-[4-[2,6-bis(fluoromethyl)-3,5-dimethylphenyl]pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153413643
1-N,1-N,3-N,3-N-tetramethyl-2-[1-[3-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine
CID 153414281
9-(4-methyl-2-pyridinyl)-2-[3-[4-(3,4,5-trimethyl-2,6-diphenoxyphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153413901
2-[3-[4-[3,5-dimethyl-2,6-bis(2-methylbutyl)phenyl]pyrazol-1-yl]phenoxy]-9-(4-methoxy-2-pyridinyl)carbazole
CID 153412804
1-N,1-N,3-N,3-N,5-pentamethyl-2-[1-[3-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]benzene-1,3-diamine
CID 153414866
2-[3-[4-(2,6-dibutyl-3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-methyl-2-pyridinyl)carbazole
CID 153413304
9-(4-methyl-2-pyridinyl)-2-[3-[4-(2,3,4,5,6-pentaethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 153413547

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-1-N,1-N,3-N,3-N,4,5,6-heptamethylbenzene-1,3-diamine?
The IUPAC name of 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-1-N,1-N,3-N,3-N,4,5,6-heptamethylbenzene-1,3-diamine (CID 153414646) is 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-1-N,1-N,3-N,3-N,4,5,6-heptamethylbenzene-1,3-diamine.
What is the SMILES notation for 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-1-N,1-N,3-N,3-N,4,5,6-heptamethylbenzene-1,3-diamine?
The canonical SMILES for 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-1-N,1-N,3-N,3-N,4,5,6-heptamethylbenzene-1,3-diamine is COc1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(-n5cc(-c6c(N(C)C)c(C)c(C)c(C)c6N(C)C)cn5)c4)cc32)c1.
What is the InChIKey of 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-1-N,1-N,3-N,3-N,4,5,6-heptamethylbenzene-1,3-diamine?
The InChIKey is HBCYQERCQJILRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40N6O2/c1-25-26(2)39(43(4)5)38(40(27(25)3)44(6)7)28-23-42-45(24-28)29-12-11-13-31(20-29)48-32-16-17-34-33-14-9-10-15-35(33)46(36(34)21-32)37-22-30(47-8)18-19-41-37/h9-24H,1-8H3.
What are the key properties of 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-1-N,1-N,3-N,3-N,4,5,6-heptamethylbenzene-1,3-diamine?
2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-1-N,1-N,3-N,3-N,4,5,6-heptamethylbenzene-1,3-diamine has a molecular weight of 636.80 g/mol, XLogP of 8.89, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-1-N,1-N,3-N,3-N,4,5,6-heptamethylbenzene-1,3-diamine is sourced from PubChem (CID 153414646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).