1,8-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole

C60H39N7 — CID 130438691

IUPAC1,8-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc4c5cccc(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C60H39N7/c1-6-22-40(23-7-1)55-61-56(41-24-8-2-9-25-41)64-59(63-55)51-34-18-16-32-45(51)47-36-20-38-49-50-39-21-37-48(54(50)67(53(47)49)44-30-14-5-15-31-44)46-33-17-19-35-52(46)60-65-57(42-26-10-3-11-27-42)62-58(66-60)43-28-12-4-13-29-43/h1-39H
InChIKeyVHWGJRFAASIBDO-UHFFFAOYSA-N
MW858.02 g/mol
LogP14.49
Rot. Bonds9

About 1,8-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole

1,8-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole (PubChem CID 130438691) has the molecular formula C60H39N7 and a molecular weight of 858.02 g/mol. Its IUPAC name is 1,8-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name1,8-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
PubChem CID130438691
Molecular FormulaC60H39N7
Molecular Weight858.02 g/mol
Exact Mass857.33
IUPAC Name1,8-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc4c5cccc(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5n(-c5ccccc5)c34)n2)cc1
InChIInChI=1S/C60H39N7/c1-6-22-40(23-7-1)55-61-56(41-24-8-2-9-25-41)64-59(63-55)51-34-18-16-32-45(51)47-36-20-38-49-50-39-21-37-48(54(50)67(53(47)49)44-30-14-5-15-31-44)46-33-17-19-35-52(46)60-65-57(42-26-10-3-11-27-42)62-58(66-60)43-28-12-4-13-29-43/h1-39H
InChIKeyVHWGJRFAASIBDO-UHFFFAOYSA-N
XLogP14.49
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.02
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,8-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 139311961
9-phenyl-1-[2,3,4,5-tetradeuterio-6-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 171438049
1-(9-phenylcarbazol-1-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305816
7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 164723855
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
11-phenyl-12-[2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014688
1-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 139342063
16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-16-azaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene
CID 166849348
9-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 23527808
6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
11-phenyl-5-[4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole
CID 155474221
1-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 146648774

Frequently Asked Questions

What is the IUPAC name of 1,8-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 1,8-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole (CID 130438691) is 1,8-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 1,8-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 1,8-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc4c5cccc(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5n(-c5ccccc5)c34)n2)cc1.
What is the InChIKey of 1,8-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole?
The InChIKey is VHWGJRFAASIBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N7/c1-6-22-40(23-7-1)55-61-56(41-24-8-2-9-25-41)64-59(63-55)51-34-18-16-32-45(51)47-36-20-38-49-50-39-21-37-48(54(50)67(53(47)49)44-30-14-5-15-31-44)46-33-17-19-35-52(46)60-65-57(42-26-10-3-11-27-42)62-58(66-60)43-28-12-4-13-29-43/h1-39H.
What are the key properties of 1,8-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole?
1,8-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole has a molecular weight of 858.02 g/mol, XLogP of 14.49, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 130438691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).