7-phenyl-2-[4-[2-[4-[2-[4-[4-[4-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-6-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-4-pyridinyl]naphthalen-1-yl]benzo[b][1,10]phenanthroline

C118H72N10 — CID 165096415

IUPAC7-phenyl-2-[4-[2-[4-[2-[4-[4-[4-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-6-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-4-pyridinyl]naphthalen-1-yl]benzo[b][1,10]phenanthroline
SMILESc1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4ccc5cc(-c6cc(-c7ccc(-c8ccncc8)cc7)nc(-c7ccc(-c8ccnc(-c9cc(-c%10ccc(-c%11cc(-c%12ccc(-c%13ccc%14ccc%15c(-c%16ccccc%16)c%16ccccc%16nc%15c%14n%13)c%13ccccc%12%13)cc(-c%12ccc(-c%13ccncc%13)cc%12)n%11)cc%10)ccn9)c8)cc7)c6)ccc5c4)nc23)cc1
InChIInChI=1S/C118H72N10/c1-3-13-83(14-4-1)113-99-19-9-11-21-104(99)127-117-101(113)47-43-85-45-51-103(125-115(85)117)92-42-41-87-65-89(40-39-88(87)66-92)93-69-107(79-31-23-73(24-32-79)77-53-59-119-60-54-77)123-108(70-93)80-35-27-75(28-36-80)90-57-63-121-111(67-90)112-68-91(58-64-122-112)76-29-37-82(38-30-76)110-72-94(71-109(124-110)81-33-25-74(26-34-81)78-55-61-120-62-56-78)95-49-50-98(97-18-8-7-17-96(95)97)106-52-46-86-44-48-102-114(84-15-5-2-6-16-84)100-20-10-12-22-105(100)128-118(102)116(86)126-106/h1-72H
InChIKeyXOZFQKPRSNXLMF-UHFFFAOYSA-N
MW1629.94 g/mol
LogP29.87
Rot. Bonds15

About 7-phenyl-2-[4-[2-[4-[2-[4-[4-[4-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-6-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-4-pyridinyl]naphthalen-1-yl]benzo[b][1,10]phenanthroline

7-phenyl-2-[4-[2-[4-[2-[4-[4-[4-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-6-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-4-pyridinyl]naphthalen-1-yl]benzo[b][1,10]phenanthroline (PubChem CID 165096415) has the molecular formula C118H72N10 and a molecular weight of 1629.94 g/mol. Its IUPAC name is 7-phenyl-2-[4-[2-[4-[2-[4-[4-[4-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-6-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-4-pyridinyl]naphthalen-1-yl]benzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name7-phenyl-2-[4-[2-[4-[2-[4-[4-[4-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-6-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-4-pyridinyl]naphthalen-1-yl]benzo[b][1,10]phenanthroline
PubChem CID165096415
Molecular FormulaC118H72N10
Molecular Weight1629.94 g/mol
Exact Mass1628.59
IUPAC Name7-phenyl-2-[4-[2-[4-[2-[4-[4-[4-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-6-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-4-pyridinyl]naphthalen-1-yl]benzo[b][1,10]phenanthroline
SMILESc1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4ccc5cc(-c6cc(-c7ccc(-c8ccncc8)cc7)nc(-c7ccc(-c8ccnc(-c9cc(-c%10ccc(-c%11cc(-c%12ccc(-c%13ccc%14ccc%15c(-c%16ccccc%16)c%16ccccc%16nc%15c%14n%13)c%13ccccc%12%13)cc(-c%12ccc(-c%13ccncc%13)cc%12)n%11)cc%10)ccn9)c8)cc7)c6)ccc5c4)nc23)cc1
InChIInChI=1S/C118H72N10/c1-3-13-83(14-4-1)113-99-19-9-11-21-104(99)127-117-101(113)47-43-85-45-51-103(125-115(85)117)92-42-41-87-65-89(40-39-88(87)66-92)93-69-107(79-31-23-73(24-32-79)77-53-59-119-60-54-77)123-108(70-93)80-35-27-75(28-36-80)90-57-63-121-111(67-90)112-68-91(58-64-122-112)76-29-37-82(38-30-76)110-72-94(71-109(124-110)81-33-25-74(26-34-81)78-55-61-120-62-56-78)95-49-50-98(97-18-8-7-17-96(95)97)106-52-46-86-44-48-102-114(84-15-5-2-6-16-84)100-20-10-12-22-105(100)128-118(102)116(86)126-106/h1-72H
InChIKeyXOZFQKPRSNXLMF-UHFFFAOYSA-N
XLogP29.87
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001629.94
LogP ≤ 529.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-phenyl-2-[4-[2-[4-[2-[4-[4-[4-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-6-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-4-pyridinyl]naphthalen-1-yl]benzo[b][1,10]phenanthroline with MolForge

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Related Compounds

7-[4-(4,6-dinaphthalen-2-yl-2-pyridinyl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline
CID 139445803
2-[4-(1,10-phenanthrolin-2-yl)phenyl]-7-pyridin-4-ylbenzo[b][1,10]phenanthroline
CID 139445594
7-phenyl-2-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 134559520
2-phenyl-7-[6-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 139446000
7-[4-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline;2-phenyl-7-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 158696446
2-[7-(2,6-dipyridin-2-yl-4-pyridinyl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445816
7-phenyl-2-[7-(9-phenyl-1,10-phenanthrolin-4-yl)phenanthren-3-yl]benzo[b][1,10]phenanthroline
CID 139446100
7-phenyl-2-[6-(2-pyridin-2-ylquinolin-7-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 139445812
7-[4-(2,6-diphenylpyrimidin-4-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline;7-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzo[b][1,10]phenanthroline
CID 158522019
2-phenyl-7-[4-(2-pyridin-2-ylquinolin-7-yl)phenyl]benzo[b][1,10]phenanthroline;7-[6-(2-pyridin-2-ylquinolin-7-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline;7-[4-(2-pyridin-2-ylquinolin-7-yl)phenyl]benzo[b][1,10]phenanthroline
CID 158595333
7-[4-(3,6-diphenylphenanthren-1-yl)phenyl]-2-phenylbenzo[b][1,10]phenanthroline
CID 139445650
2-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445974

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2-[4-[2-[4-[2-[4-[4-[4-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-6-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-4-pyridinyl]naphthalen-1-yl]benzo[b][1,10]phenanthroline?
The IUPAC name of 7-phenyl-2-[4-[2-[4-[2-[4-[4-[4-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-6-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-4-pyridinyl]naphthalen-1-yl]benzo[b][1,10]phenanthroline (CID 165096415) is 7-phenyl-2-[4-[2-[4-[2-[4-[4-[4-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-6-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-4-pyridinyl]naphthalen-1-yl]benzo[b][1,10]phenanthroline.
What is the SMILES notation for 7-phenyl-2-[4-[2-[4-[2-[4-[4-[4-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-6-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-4-pyridinyl]naphthalen-1-yl]benzo[b][1,10]phenanthroline?
The canonical SMILES for 7-phenyl-2-[4-[2-[4-[2-[4-[4-[4-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-6-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-4-pyridinyl]naphthalen-1-yl]benzo[b][1,10]phenanthroline is c1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4ccc5cc(-c6cc(-c7ccc(-c8ccncc8)cc7)nc(-c7ccc(-c8ccnc(-c9cc(-c%10ccc(-c%11cc(-c%12ccc(-c%13ccc%14ccc%15c(-c%16ccccc%16)c%16ccccc%16nc%15c%14n%13)c%13ccccc%12%13)cc(-c%12ccc(-c%13ccncc%13)cc%12)n%11)cc%10)ccn9)c8)cc7)c6)ccc5c4)nc23)cc1.
What is the InChIKey of 7-phenyl-2-[4-[2-[4-[2-[4-[4-[4-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-6-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-4-pyridinyl]naphthalen-1-yl]benzo[b][1,10]phenanthroline?
The InChIKey is XOZFQKPRSNXLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H72N10/c1-3-13-83(14-4-1)113-99-19-9-11-21-104(99)127-117-101(113)47-43-85-45-51-103(125-115(85)117)92-42-41-87-65-89(40-39-88(87)66-92)93-69-107(79-31-23-73(24-32-79)77-53-59-119-60-54-77)123-108(70-93)80-35-27-75(28-36-80)90-57-63-121-111(67-90)112-68-91(58-64-122-112)76-29-37-82(38-30-76)110-72-94(71-109(124-110)81-33-25-74(26-34-81)78-55-61-120-62-56-78)95-49-50-98(97-18-8-7-17-96(95)97)106-52-46-86-44-48-102-114(84-15-5-2-6-16-84)100-20-10-12-22-105(100)128-118(102)116(86)126-106/h1-72H.
What are the key properties of 7-phenyl-2-[4-[2-[4-[2-[4-[4-[4-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-6-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-4-pyridinyl]naphthalen-1-yl]benzo[b][1,10]phenanthroline?
7-phenyl-2-[4-[2-[4-[2-[4-[4-[4-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-6-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-4-pyridinyl]naphthalen-1-yl]benzo[b][1,10]phenanthroline has a molecular weight of 1629.94 g/mol, XLogP of 29.87, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2-[4-[2-[4-[2-[4-[4-[4-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-6-(4-pyridin-4-ylphenyl)-2-pyridinyl]phenyl]-2-pyridinyl]-4-pyridinyl]phenyl]-6-(4-pyridin-4-ylphenyl)-4-pyridinyl]naphthalen-1-yl]benzo[b][1,10]phenanthroline is sourced from PubChem (CID 165096415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).