9-[4-[4-(4-carbazol-9-ylphenyl)-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole

C42H31N5 — CID 126550809

IUPAC9-[4-[4-(4-carbazol-9-ylphenyl)-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESCC(C)c1nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1
InChIInChI=1S/C42H31N5/c1-27(2)40-43-41(28-19-23-30(24-20-28)46-36-15-7-3-11-32(36)33-12-4-8-16-37(33)46)45-42(44-40)29-21-25-31(26-22-29)47-38-17-9-5-13-34(38)35-14-6-10-18-39(35)47/h3-27H,1-2H3
InChIKeyAEWAKPPBRVQASP-UHFFFAOYSA-N
MW605.75 g/mol
LogP10.52
Rot. Bonds5

About 9-[4-[4-(4-carbazol-9-ylphenyl)-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole

9-[4-[4-(4-carbazol-9-ylphenyl)-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 126550809) has the molecular formula C42H31N5 and a molecular weight of 605.75 g/mol. Its IUPAC name is 9-[4-[4-(4-carbazol-9-ylphenyl)-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(4-carbazol-9-ylphenyl)-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID126550809
Molecular FormulaC42H31N5
Molecular Weight605.75 g/mol
Exact Mass605.26
IUPAC Name9-[4-[4-(4-carbazol-9-ylphenyl)-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESCC(C)c1nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1
InChIInChI=1S/C42H31N5/c1-27(2)40-43-41(28-19-23-30(24-20-28)46-36-15-7-3-11-32(36)33-12-4-8-16-37(33)46)45-42(44-40)29-21-25-31(26-22-29)47-38-17-9-5-13-34(38)35-14-6-10-18-39(35)47/h3-27H,1-2H3
InChIKeyAEWAKPPBRVQASP-UHFFFAOYSA-N
XLogP10.52
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.75
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-[4-[4,6-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-3,6-bis(4-carbazol-9-ylphenyl)carbazole
CID 101429712
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
9-[4-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 122425211
9-[4-[4-(4-carbazol-9-ylphenyl)-6-methyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126564639
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
3-carbazol-9-yl-9-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 90211361
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
22-[4-[4,6-bis[4-(5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaen-22-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,15,29,39-tetraphenyl-5,15,22,29,39-pentazaundecacyclo[21.18.0.02,21.04,19.06,18.08,16.09,14.025,40.026,38.028,36.030,35]hentetraconta-1(41),2,4(19),6(18),7,9,11,13,16,20,23,25(40),26(38),27,30,32,34,36-octadecaene
CID 88949847
3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146573156

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(4-carbazol-9-ylphenyl)-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[4-(4-carbazol-9-ylphenyl)-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 126550809) is 9-[4-[4-(4-carbazol-9-ylphenyl)-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[4-(4-carbazol-9-ylphenyl)-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[4-(4-carbazol-9-ylphenyl)-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole is CC(C)c1nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)nc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)n1.
What is the InChIKey of 9-[4-[4-(4-carbazol-9-ylphenyl)-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is AEWAKPPBRVQASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N5/c1-27(2)40-43-41(28-19-23-30(24-20-28)46-36-15-7-3-11-32(36)33-12-4-8-16-37(33)46)45-42(44-40)29-21-25-31(26-22-29)47-38-17-9-5-13-34(38)35-14-6-10-18-39(35)47/h3-27H,1-2H3.
What are the key properties of 9-[4-[4-(4-carbazol-9-ylphenyl)-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole?
9-[4-[4-(4-carbazol-9-ylphenyl)-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 605.75 g/mol, XLogP of 10.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(4-carbazol-9-ylphenyl)-6-propan-2-yl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 126550809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).