9-phenyl-4-[5-[3-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole

C50H35N5 — CID 164843442

IUPAC9-phenyl-4-[5-[3-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole
SMILESC1=CC(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccncc5)cc4)n3)c2)CC(c2cccc3c2c2ccccc2n3-c2ccccc2)=C1
InChIInChI=1S/C50H35N5/c1-3-12-36(13-4-1)48-52-49(37-26-24-34(25-27-37)35-28-30-51-31-29-35)54-50(53-48)41-17-10-15-39(33-41)38-14-9-16-40(32-38)43-21-11-23-46-47(43)44-20-7-8-22-45(44)55(46)42-18-5-2-6-19-42/h1-31,33,38H,32H2
InChIKeyAEXJBJXQHBKIJY-UHFFFAOYSA-N
MW705.87 g/mol
LogP12.16
Rot. Bonds7

About 9-phenyl-4-[5-[3-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole

9-phenyl-4-[5-[3-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole (PubChem CID 164843442) has the molecular formula C50H35N5 and a molecular weight of 705.87 g/mol. Its IUPAC name is 9-phenyl-4-[5-[3-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-4-[5-[3-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole
PubChem CID164843442
Molecular FormulaC50H35N5
Molecular Weight705.87 g/mol
Exact Mass705.29
IUPAC Name9-phenyl-4-[5-[3-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole
SMILESC1=CC(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccncc5)cc4)n3)c2)CC(c2cccc3c2c2ccccc2n3-c2ccccc2)=C1
InChIInChI=1S/C50H35N5/c1-3-12-36(13-4-1)48-52-49(37-26-24-34(25-27-37)35-28-30-51-31-29-35)54-50(53-48)41-17-10-15-39(33-41)38-14-9-16-40(32-38)43-21-11-23-46-47(43)44-20-7-8-22-45(44)55(46)42-18-5-2-6-19-42/h1-31,33,38H,32H2
InChIKeyAEXJBJXQHBKIJY-UHFFFAOYSA-N
XLogP12.16
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.87
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-phenyl-4-[4-[4-[4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 164843456
4-(9-phenylcarbazol-4-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305706
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
9-[4-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166984413
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 176837765
4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270121
6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-9-phenylpyrido[3,4-b]indole;9-phenyl-6-[9-(4-phenylphenyl)carbazol-4-yl]pyrido[3,4-b]indole
CID 161163383
9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139496806
4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270072
2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 121306286
3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118699027
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-5-(9-phenylcarbazol-3-yl)carbazole
CID 134597683

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-[5-[3-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole?
The IUPAC name of 9-phenyl-4-[5-[3-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole (CID 164843442) is 9-phenyl-4-[5-[3-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole.
What is the SMILES notation for 9-phenyl-4-[5-[3-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole?
The canonical SMILES for 9-phenyl-4-[5-[3-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole is C1=CC(c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccncc5)cc4)n3)c2)CC(c2cccc3c2c2ccccc2n3-c2ccccc2)=C1.
What is the InChIKey of 9-phenyl-4-[5-[3-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole?
The InChIKey is AEXJBJXQHBKIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N5/c1-3-12-36(13-4-1)48-52-49(37-26-24-34(25-27-37)35-28-30-51-31-29-35)54-50(53-48)41-17-10-15-39(33-41)38-14-9-16-40(32-38)43-21-11-23-46-47(43)44-20-7-8-22-45(44)55(46)42-18-5-2-6-19-42/h1-31,33,38H,32H2.
What are the key properties of 9-phenyl-4-[5-[3-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole?
9-phenyl-4-[5-[3-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole has a molecular weight of 705.87 g/mol, XLogP of 12.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4-[5-[3-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole is sourced from PubChem (CID 164843442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).