3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]phenyl]-2-methylphenyl]carbazole

C61H42N4 — CID 155771464

IUPAC3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]phenyl]-2-methylphenyl]carbazole
SMILESCc1c(-c2ccnc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4C)c3)c2)cccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C61H42N4/c1-39-45(23-14-31-55(39)65-60-29-12-7-22-51(60)52-38-44(32-33-61(52)65)63-56-25-8-3-18-47(56)48-19-4-9-26-57(48)63)41-16-13-17-43(36-41)53-37-42(34-35-62-53)46-24-15-30-54(40(46)2)64-58-27-10-5-20-49(58)50-21-6-11-28-59(50)64/h3-38H,1-2H3
InChIKeyVLIXECCDUOPWCZ-UHFFFAOYSA-N
MW831.04 g/mol
LogP15.99
Rot. Bonds6

About 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]phenyl]-2-methylphenyl]carbazole

3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]phenyl]-2-methylphenyl]carbazole (PubChem CID 155771464) has the molecular formula C61H42N4 and a molecular weight of 831.04 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]phenyl]-2-methylphenyl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]phenyl]-2-methylphenyl]carbazole
PubChem CID155771464
Molecular FormulaC61H42N4
Molecular Weight831.04 g/mol
Exact Mass830.34
IUPAC Name3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]phenyl]-2-methylphenyl]carbazole
SMILESCc1c(-c2ccnc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4C)c3)c2)cccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C61H42N4/c1-39-45(23-14-31-55(39)65-60-29-12-7-22-51(60)52-38-44(32-33-61(52)65)63-56-25-8-3-18-47(56)48-19-4-9-26-57(48)63)41-16-13-17-43(36-41)53-37-42(34-35-62-53)46-24-15-30-54(40(46)2)64-58-27-10-5-20-49(58)50-21-6-11-28-59(50)64/h3-38H,1-2H3
InChIKeyVLIXECCDUOPWCZ-UHFFFAOYSA-N
XLogP15.99
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.04
LogP ≤ 515.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]phenyl]-2-methylphenyl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]phenyl]-2-methylphenyl]carbazole (CID 155771464) is 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]phenyl]-2-methylphenyl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]phenyl]-2-methylphenyl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]phenyl]-2-methylphenyl]carbazole is Cc1c(-c2ccnc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)c4C)c3)c2)cccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]phenyl]-2-methylphenyl]carbazole?
The InChIKey is VLIXECCDUOPWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N4/c1-39-45(23-14-31-55(39)65-60-29-12-7-22-51(60)52-38-44(32-33-61(52)65)63-56-25-8-3-18-47(56)48-19-4-9-26-57(48)63)41-16-13-17-43(36-41)53-37-42(34-35-62-53)46-24-15-30-54(40(46)2)64-58-27-10-5-20-49(58)50-21-6-11-28-59(50)64/h3-38H,1-2H3.
What are the key properties of 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]phenyl]-2-methylphenyl]carbazole?
3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]phenyl]-2-methylphenyl]carbazole has a molecular weight of 831.04 g/mol, XLogP of 15.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[3-[3-[4-(3-carbazol-9-yl-2-methylphenyl)-2-pyridinyl]phenyl]-2-methylphenyl]carbazole is sourced from PubChem (CID 155771464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).