2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine

C123H81N7 — CID 159291079

IUPAC2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6cccc(-n7c8ccc(-c9ccccc9)cc8c8cc(-c9ccccc9)ccc87)c6)nc5c4n3)c2)cc1.c1cncc(-c2ccc(-c3cc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc(-c5cccnc5)cc4)c3)cc2)c1
InChIInChI=1S/C84H54N4.C39H27N3/c1-7-21-55(22-8-1)61-37-43-79-73(49-61)74-50-62(56-23-9-2-10-24-56)38-44-80(74)87(79)67-35-19-33-65(47-67)77-53-71(59-29-15-5-16-30-59)69-41-42-70-72(60-31-17-6-18-32-60)54-78(86-84(70)83(69)85-77)66-34-20-36-68(48-66)88-81-45-39-63(57-25-11-3-12-26-57)51-75(81)76-52-64(40-46-82(76)88)58-27-13-4-14-28-58;1-4-34(25-40-19-1)28-7-13-31(14-8-28)37-22-38(32-15-9-29(10-16-32)35-5-2-20-41-26-35)24-39(23-37)33-17-11-30(12-18-33)36-6-3-21-42-27-36/h1-54H;1-27H
InChIKeyLADACYRASFHMJW-UHFFFAOYSA-N
MW1657.05 g/mol
LogP32.19
Rot. Bonds16

About 2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine

2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 159291079) has the molecular formula C123H81N7 and a molecular weight of 1657.05 g/mol. Its IUPAC name is 2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
PubChem CID159291079
Molecular FormulaC123H81N7
Molecular Weight1657.05 g/mol
Exact Mass1655.66
IUPAC Name2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6cccc(-n7c8ccc(-c9ccccc9)cc8c8cc(-c9ccccc9)ccc87)c6)nc5c4n3)c2)cc1.c1cncc(-c2ccc(-c3cc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc(-c5cccnc5)cc4)c3)cc2)c1
InChIInChI=1S/C84H54N4.C39H27N3/c1-7-21-55(22-8-1)61-37-43-79-73(49-61)74-50-62(56-23-9-2-10-24-56)38-44-80(74)87(79)67-35-19-33-65(47-67)77-53-71(59-29-15-5-16-30-59)69-41-42-70-72(60-31-17-6-18-32-60)54-78(86-84(70)83(69)85-77)66-34-20-36-68(48-66)88-81-45-39-63(57-25-11-3-12-26-57)51-75(81)76-52-64(40-46-82(76)88)58-27-13-4-14-28-58;1-4-34(25-40-19-1)28-7-13-31(14-8-28)37-22-38(32-15-9-29(10-16-32)35-5-2-20-41-26-35)24-39(23-37)33-17-11-30(12-18-33)36-6-3-21-42-27-36/h1-54H;1-27H
InChIKeyLADACYRASFHMJW-UHFFFAOYSA-N
XLogP32.19
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001657.05
LogP ≤ 532.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine with MolForge

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Related Compounds

2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenylbenzo[h]quinoline
CID 118528083
9-phenyl-3-[4-[2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]naphthalen-1-yl]carbazole
CID 163562263
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-phenylcarbazole;2-[4-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine;2-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161363967
2,4-diphenyl-6-(3-pyridin-3-yl-5-triphenylen-2-ylphenyl)-1,3,5-triazine;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;2-[3-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-5-pyridin-3-ylphenyl]-4,6-diphenyl-1,3,5-triazine;2-(3-phenanthren-9-yl-5-pyridin-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine;9-[4-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 161347149
3-[3-(2,6-diphenylpyrimidin-4-yl)-5-triphenylen-2-ylphenyl]-9-phenylcarbazole;2,4-diphenyl-6-(4-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine;4,6-dipyridin-3-yl-2-(4-triphenylen-2-ylphenyl)pyrimidine;5-(3-triphenylen-2-ylphenyl)pyrido[3,2-b]indole
CID 161231693
3-carbazol-9-yl-9-(3-pyridin-3-ylphenyl)carbazole
CID 126749641
6,11-diphenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 118682663
2-[3-(3-phenylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyridine
CID 89369583
3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6,9-diphenylcarbazole
CID 58943233
8-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-5-phenylpyrido[4,3-b]indole
CID 118968815

Frequently Asked Questions

What is the IUPAC name of 2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The IUPAC name of 2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (CID 159291079) is 2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The canonical SMILES for 2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3cc(-c4ccccc4)c4ccc5c(-c6ccccc6)cc(-c6cccc(-n7c8ccc(-c9ccccc9)cc8c8cc(-c9ccccc9)ccc87)c6)nc5c4n3)c2)cc1.c1cncc(-c2ccc(-c3cc(-c4ccc(-c5cccnc5)cc4)cc(-c4ccc(-c5cccnc5)cc4)c3)cc2)c1.
What is the InChIKey of 2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The InChIKey is LADACYRASFHMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54N4.C39H27N3/c1-7-21-55(22-8-1)61-37-43-79-73(49-61)74-50-62(56-23-9-2-10-24-56)38-44-80(74)87(79)67-35-19-33-65(47-67)77-53-71(59-29-15-5-16-30-59)69-41-42-70-72(60-31-17-6-18-32-60)54-78(86-84(70)83(69)85-77)66-34-20-36-68(48-66)88-81-45-39-63(57-25-11-3-12-26-57)51-75(81)76-52-64(40-46-82(76)88)58-27-13-4-14-28-58;1-4-34(25-40-19-1)28-7-13-31(14-8-28)37-22-38(32-15-9-29(10-16-32)35-5-2-20-41-26-35)24-39(23-37)33-17-11-30(12-18-33)36-6-3-21-42-27-36/h1-54H;1-27H.
What are the key properties of 2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine has a molecular weight of 1657.05 g/mol, XLogP of 32.19, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4,7-diphenyl-1,10-phenanthroline;3-[4-[3,5-bis(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 159291079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).