3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole

C59H37N5 — CID 155477089

IUPAC3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-n5c6cc(-n7c8ccccc8c8ccccc87)ccc6c6cc7ccccc7cc65)c4)nc(-c4ccc5ccccc5c4)n3)c2)cc1
InChIInChI=1S/C59H37N5/c1-2-14-38(15-3-1)41-20-12-21-44(32-41)57-60-58(62-59(61-57)46-29-28-39-16-4-5-17-40(39)33-46)45-22-13-23-47(34-45)64-55-36-43-19-7-6-18-42(43)35-52(55)51-31-30-48(37-56(51)64)63-53-26-10-8-24-49(53)50-25-9-11-27-54(50)63/h1-37H
InChIKeyBXEKAYUOASVDQP-UHFFFAOYSA-N
MW815.98 g/mol
LogP15.04
Rot. Bonds6

About 3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole

3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (PubChem CID 155477089) has the molecular formula C59H37N5 and a molecular weight of 815.98 g/mol. Its IUPAC name is 3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
PubChem CID155477089
Molecular FormulaC59H37N5
Molecular Weight815.98 g/mol
Exact Mass815.30
IUPAC Name3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-n5c6cc(-n7c8ccccc8c8ccccc87)ccc6c6cc7ccccc7cc65)c4)nc(-c4ccc5ccccc5c4)n3)c2)cc1
InChIInChI=1S/C59H37N5/c1-2-14-38(15-3-1)41-20-12-21-44(32-41)57-60-58(62-59(61-57)46-29-28-39-16-4-5-17-40(39)33-46)45-22-13-23-47(34-45)64-55-36-43-19-7-6-18-42(43)35-52(55)51-31-30-48(37-56(51)64)63-53-26-10-8-24-49(53)50-25-9-11-27-54(50)63/h1-37H
InChIKeyBXEKAYUOASVDQP-UHFFFAOYSA-N
XLogP15.04
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.98
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzo[a]carbazol-11-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155477512
9-[4-[4-[3-[7-[3-[3-[4-(3-carbazol-9-ylphenyl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphthalen-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146650760
9-[3-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 166915555
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-2-ylcarbazole
CID 135144088
3-[9-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 130304706
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,5-diphenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-7-phenylindolo[2,3-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-b]carbazole
CID 164953244
5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621945
2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole
CID 146179596
9-[4-[4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146622020
5-[6-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 134603706
2-[3-[4-naphthalen-2-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 137401845
2-phenyl-9-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170539117

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The IUPAC name of 3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (CID 155477089) is 3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The canonical SMILES for 3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is c1ccc(-c2cccc(-c3nc(-c4cccc(-n5c6cc(-n7c8ccccc8c8ccccc87)ccc6c6cc7ccccc7cc65)c4)nc(-c4ccc5ccccc5c4)n3)c2)cc1.
What is the InChIKey of 3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
The InChIKey is BXEKAYUOASVDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5/c1-2-14-38(15-3-1)41-20-12-21-44(32-41)57-60-58(62-59(61-57)46-29-28-39-16-4-5-17-40(39)33-46)45-22-13-23-47(34-45)64-55-36-43-19-7-6-18-42(43)35-52(55)51-31-30-48(37-56(51)64)63-53-26-10-8-24-49(53)50-25-9-11-27-54(50)63/h1-37H.
What are the key properties of 3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?
3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole has a molecular weight of 815.98 g/mol, XLogP of 15.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 155477089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).