9-[2-[3-[3-[2-(4-bromo-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]propyl]-2-methyl-3H-pyridin-2-yl]-6-pyridin-2-yl-4-pyridinyl]-3,6-diphenyl-1,2,7,8-tetrahydrocarbazole

C58H48BrN7 — CID 142806813

IUPAC9-[2-[3-[3-[2-(4-bromo-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]propyl]-2-methyl-3H-pyridin-2-yl]-6-pyridin-2-yl-4-pyridinyl]-3,6-diphenyl-1,2,7,8-tetrahydrocarbazole
SMILESCC1(c2cc(-n3c4c(c5c3CCC(c3ccccc3)=C5)C=C(c3ccccc3)CC4)cc(-c3ccccn3)n2)N=CC=CC1CCCc1ccnc(-c2cc(Br)cc(-c3ccccn3)n2)c1
InChIInChI=1S/C58H48BrN7/c1-58(44(20-13-30-63-58)19-12-14-39-27-31-62-51(32-39)53-36-45(59)35-52(64-53)49-21-8-10-28-60-49)57-38-46(37-54(65-57)50-22-9-11-29-61-50)66-55-25-23-42(40-15-4-2-5-16-40)33-47(55)48-34-43(24-26-56(48)66)41-17-6-3-7-18-41/h2-11,13,15-18,20-22,27-38,44H,12,14,19,23-26H2,1H3
InChIKeyJXURUSYBKFKBES-UHFFFAOYSA-N
MW922.98 g/mol
LogP13.68
Rot. Bonds11

About 9-[2-[3-[3-[2-(4-bromo-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]propyl]-2-methyl-3H-pyridin-2-yl]-6-pyridin-2-yl-4-pyridinyl]-3,6-diphenyl-1,2,7,8-tetrahydrocarbazole

9-[2-[3-[3-[2-(4-bromo-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]propyl]-2-methyl-3H-pyridin-2-yl]-6-pyridin-2-yl-4-pyridinyl]-3,6-diphenyl-1,2,7,8-tetrahydrocarbazole (PubChem CID 142806813) has the molecular formula C58H48BrN7 and a molecular weight of 922.98 g/mol. Its IUPAC name is 9-[2-[3-[3-[2-(4-bromo-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]propyl]-2-methyl-3H-pyridin-2-yl]-6-pyridin-2-yl-4-pyridinyl]-3,6-diphenyl-1,2,7,8-tetrahydrocarbazole.

Molecular Properties

Compound Name9-[2-[3-[3-[2-(4-bromo-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]propyl]-2-methyl-3H-pyridin-2-yl]-6-pyridin-2-yl-4-pyridinyl]-3,6-diphenyl-1,2,7,8-tetrahydrocarbazole
PubChem CID142806813
Molecular FormulaC58H48BrN7
Molecular Weight922.98 g/mol
Exact Mass921.32
IUPAC Name9-[2-[3-[3-[2-(4-bromo-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]propyl]-2-methyl-3H-pyridin-2-yl]-6-pyridin-2-yl-4-pyridinyl]-3,6-diphenyl-1,2,7,8-tetrahydrocarbazole
SMILESCC1(c2cc(-n3c4c(c5c3CCC(c3ccccc3)=C5)C=C(c3ccccc3)CC4)cc(-c3ccccn3)n2)N=CC=CC1CCCc1ccnc(-c2cc(Br)cc(-c3ccccn3)n2)c1
InChIInChI=1S/C58H48BrN7/c1-58(44(20-13-30-63-58)19-12-14-39-27-31-62-51(32-39)53-36-45(59)35-52(64-53)49-21-8-10-28-60-49)57-38-46(37-54(65-57)50-22-9-11-29-61-50)66-55-25-23-42(40-15-4-2-5-16-40)33-47(55)48-34-43(24-26-56(48)66)41-17-6-3-7-18-41/h2-11,13,15-18,20-22,27-38,44H,12,14,19,23-26H2,1H3
InChIKeyJXURUSYBKFKBES-UHFFFAOYSA-N
XLogP13.68
TPSA81.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.98
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[2-[3-[3-[2-(4-bromo-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]propyl]-2-methyl-3H-pyridin-2-yl]-6-pyridin-2-yl-4-pyridinyl]-3,6-diphenyl-1,2,7,8-tetrahydrocarbazole with MolForge

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Launch Full Analysis

Related Compounds

1,3-Bis-N-phenylpiperazinomethyl-2-phenylpyrrocoline
CID 42872
Indolizine, 1,3-bis((4-phenyl-1-piperazinyl)methyl)-7-methyl-2-phenyl-
CID 42871
1-[4-[4-[[bis(2-pyridylmethyl)amino]methyl]phenyl]phenyl]-N,N-bis(2-pyridylmethyl)methanamine
CID 16073097
1-[6-[5-[[bis(2-pyridylmethyl)amino]methyl]-2-pyridyl]-3-pyridyl]-N,N-bis(2-pyridylmethyl)methanamine
CID 16073098
4',4''''-[1,1'-Biphenyl]-4,4'-diylbis-(2,2':6',2''-terpyridine)
CID 15392767
2,3,4,5-Tetrapyridin-2-ylpyridine
CID 22045955
4-(6-Bromo-3-pyridinyl)-2,6-dipyridin-2-ylpyridine
CID 90918546
3,4-Dipyridin-2-yl-2-[4-(2-pyridin-2-yl-4-pyridinyl)-2-pyridinyl]pyridine
CID 91249315
p-Bromophenylterpyridine
CID 129654451
2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 164641387
14-Bromo-6-fluoro-12,18,18-trimethyl-10-pyridin-2-yl-1,9,16-triazapentacyclo[11.6.1.02,11.03,8.017,20]icosa-2(11),3(8),4,6,9,13(20),14,16-octaene
CID 90724306
4-Phenyl-2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-6-pyridin-2-ylpyridine
CID 14933756

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-[3-[2-(4-bromo-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]propyl]-2-methyl-3H-pyridin-2-yl]-6-pyridin-2-yl-4-pyridinyl]-3,6-diphenyl-1,2,7,8-tetrahydrocarbazole?
The IUPAC name of 9-[2-[3-[3-[2-(4-bromo-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]propyl]-2-methyl-3H-pyridin-2-yl]-6-pyridin-2-yl-4-pyridinyl]-3,6-diphenyl-1,2,7,8-tetrahydrocarbazole (CID 142806813) is 9-[2-[3-[3-[2-(4-bromo-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]propyl]-2-methyl-3H-pyridin-2-yl]-6-pyridin-2-yl-4-pyridinyl]-3,6-diphenyl-1,2,7,8-tetrahydrocarbazole.
What is the SMILES notation for 9-[2-[3-[3-[2-(4-bromo-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]propyl]-2-methyl-3H-pyridin-2-yl]-6-pyridin-2-yl-4-pyridinyl]-3,6-diphenyl-1,2,7,8-tetrahydrocarbazole?
The canonical SMILES for 9-[2-[3-[3-[2-(4-bromo-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]propyl]-2-methyl-3H-pyridin-2-yl]-6-pyridin-2-yl-4-pyridinyl]-3,6-diphenyl-1,2,7,8-tetrahydrocarbazole is CC1(c2cc(-n3c4c(c5c3CCC(c3ccccc3)=C5)C=C(c3ccccc3)CC4)cc(-c3ccccn3)n2)N=CC=CC1CCCc1ccnc(-c2cc(Br)cc(-c3ccccn3)n2)c1.
What is the InChIKey of 9-[2-[3-[3-[2-(4-bromo-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]propyl]-2-methyl-3H-pyridin-2-yl]-6-pyridin-2-yl-4-pyridinyl]-3,6-diphenyl-1,2,7,8-tetrahydrocarbazole?
The InChIKey is JXURUSYBKFKBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48BrN7/c1-58(44(20-13-30-63-58)19-12-14-39-27-31-62-51(32-39)53-36-45(59)35-52(64-53)49-21-8-10-28-60-49)57-38-46(37-54(65-57)50-22-9-11-29-61-50)66-55-25-23-42(40-15-4-2-5-16-40)33-47(55)48-34-43(24-26-56(48)66)41-17-6-3-7-18-41/h2-11,13,15-18,20-22,27-38,44H,12,14,19,23-26H2,1H3.
What are the key properties of 9-[2-[3-[3-[2-(4-bromo-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]propyl]-2-methyl-3H-pyridin-2-yl]-6-pyridin-2-yl-4-pyridinyl]-3,6-diphenyl-1,2,7,8-tetrahydrocarbazole?
9-[2-[3-[3-[2-(4-bromo-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]propyl]-2-methyl-3H-pyridin-2-yl]-6-pyridin-2-yl-4-pyridinyl]-3,6-diphenyl-1,2,7,8-tetrahydrocarbazole has a molecular weight of 922.98 g/mol, XLogP of 13.68, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-[3-[2-(4-bromo-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]propyl]-2-methyl-3H-pyridin-2-yl]-6-pyridin-2-yl-4-pyridinyl]-3,6-diphenyl-1,2,7,8-tetrahydrocarbazole is sourced from PubChem (CID 142806813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).