9-[3-[5-[5-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]carbazole

C46H32N4 — CID 70641630

IUPAC9-[3-[5-[5-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]carbazole
SMILESC1=Cc2c(c3ccccc3n2-c2cccc(-c3cncc(-c4cncc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)c3)c2)CC1
InChIInChI=1S/C46H32N4/c1-5-19-43-39(15-1)40-16-2-6-20-44(40)49(43)37-13-9-11-31(25-37)33-23-35(29-47-27-33)36-24-34(28-48-30-36)32-12-10-14-38(26-32)50-45-21-7-3-17-41(45)42-18-4-8-22-46(42)50/h1-3,5-17,19-30H,4,18H2
InChIKeyQMNTVUXPIHSVLQ-UHFFFAOYSA-N
MW640.79 g/mol
LogP11.48
Rot. Bonds5

About 9-[3-[5-[5-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]carbazole

9-[3-[5-[5-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]carbazole (PubChem CID 70641630) has the molecular formula C46H32N4 and a molecular weight of 640.79 g/mol. Its IUPAC name is 9-[3-[5-[5-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[5-[5-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]carbazole
PubChem CID70641630
Molecular FormulaC46H32N4
Molecular Weight640.79 g/mol
Exact Mass640.26
IUPAC Name9-[3-[5-[5-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]carbazole
SMILESC1=Cc2c(c3ccccc3n2-c2cccc(-c3cncc(-c4cncc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)c3)c2)CC1
InChIInChI=1S/C46H32N4/c1-5-19-43-39(15-1)40-16-2-6-20-44(40)49(43)37-13-9-11-31(25-37)33-23-35(29-47-27-33)36-24-34(28-48-30-36)32-12-10-14-38(26-32)50-45-21-7-3-17-41(45)42-18-4-8-22-46(42)50/h1-3,5-17,19-30H,4,18H2
InChIKeyQMNTVUXPIHSVLQ-UHFFFAOYSA-N
XLogP11.48
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[5-[5-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]carbazole?
The IUPAC name of 9-[3-[5-[5-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]carbazole (CID 70641630) is 9-[3-[5-[5-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[5-[5-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[5-[5-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]carbazole is C1=Cc2c(c3ccccc3n2-c2cccc(-c3cncc(-c4cncc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)c3)c2)CC1.
What is the InChIKey of 9-[3-[5-[5-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]carbazole?
The InChIKey is QMNTVUXPIHSVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4/c1-5-19-43-39(15-1)40-16-2-6-20-44(40)49(43)37-13-9-11-31(25-37)33-23-35(29-47-27-33)36-24-34(28-48-30-36)32-12-10-14-38(26-32)50-45-21-7-3-17-41(45)42-18-4-8-22-46(42)50/h1-3,5-17,19-30H,4,18H2.
What are the key properties of 9-[3-[5-[5-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]carbazole?
9-[3-[5-[5-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]carbazole has a molecular weight of 640.79 g/mol, XLogP of 11.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[5-[5-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 70641630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).