20-benzo[f][1,10]phenanthrolin-11-yl-11-[3-[2-[5-(4-benzo[f][1,10]phenanthrolin-11-yl-2-methylphenyl)-20-(1,10-phenanthrolin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaen-23-yl]-6-phenylpyrimidin-4-yl]phenyl]-5-(4-benzo[f][1,10]phenanthrolin-11-ylphenyl)-23-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene

C155H89N13 — CID 130178202

About 20-benzo[f][1,10]phenanthrolin-11-yl-11-[3-[2-[5-(4-benzo[f][1,10]phenanthrolin-11-yl-2-methylphenyl)-20-(1,10-phenanthrolin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaen-23-yl]-6-phenylpyrimidin-4-yl]phenyl]-5-(4-benzo[f][1,10]phenanthrolin-11-ylphenyl)-23-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene

20-benzo[f][1,10]phenanthrolin-11-yl-11-[3-[2-[5-(4-benzo[f][1,10]phenanthrolin-11-yl-2-methylphenyl)-20-(1,10-phenanthrolin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaen-23-yl]-6-phenylpyrimidin-4-yl]phenyl]-5-(4-benzo[f][1,10]phenanthrolin-11-ylphenyl)-23-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene (PubChem CID 130178202) has the molecular formula C155H89N13 and a molecular weight of 2133.51 g/mol. Its IUPAC name is 20-benzo[f][1,10]phenanthrolin-11-yl-11-[3-[2-[5-(4-benzo[f][1,10]phenanthrolin-11-yl-2-methylphenyl)-20-(1,10-phenanthrolin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaen-23-yl]-6-phenylpyrimidin-4-yl]phenyl]-5-(4-benzo[f][1,10]phenanthrolin-11-ylphenyl)-23-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene.

Molecular Properties

• Compound Name: 20-benzo[f][1,10]phenanthrolin-11-yl-11-[3-[2-[5-(4-benzo[f][1,10]phenanthrolin-11-yl-2-methylphenyl)-20-(1,10-phenanthrolin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaen-23-yl]-6-phenylpyrimidin-4-yl]phenyl]-5-(4-benzo[f][1,10]phenanthrolin-11-ylphenyl)-23-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene
• PubChem CID: 130178202
• Molecular Formula: C155H89N13
• Molecular Weight: 2133.51 g/mol
• Exact Mass: 2131.74
• IUPAC Name: 20-benzo[f][1,10]phenanthrolin-11-yl-11-[3-[2-[5-(4-benzo[f][1,10]phenanthrolin-11-yl-2-methylphenyl)-20-(1,10-phenanthrolin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaen-23-yl]-6-phenylpyrimidin-4-yl]phenyl]-5-(4-benzo[f][1,10]phenanthrolin-11-ylphenyl)-23-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene
• SMILES: Cc1cc(-c2ccc3c4ccccc4c4cccnc4c3n2)ccc1-c1ccc2c(c1)c1ccccc1c1cc3c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4n(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccc7c8cc(-c9ccc(-c%10ccc%11c%12ccccc%12c%12cccnc%12c%11n%10)cc9)ccc8c8cc9c(cc8c7c6)c6ccc(-c7ccc8c%10ccccc%10c%10cccnc%10c8n7)cc6n9-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)n4)c3cc21
• InChI: InChI=1S/C155H89N13/c1-88-75-99(137-68-64-123-109-34-12-9-31-106(109)120-40-21-73-158-150(120)153(123)162-137)52-57-104(88)97-51-60-115-126(79-97)111-36-14-15-37-112(111)128-83-134-118-62-54-101(136-66-55-93-48-47-92-27-19-71-156-147(92)148(93)160-136)81-144(118)168(146(134)86-130(115)128)155-164-139(90-23-4-2-5-24-90)87-140(165-155)98-26-18-25-94(76-98)96-50-59-113-125-77-95(89-43-45-91(46-44-89)135-67-63-122-108-33-11-8-30-105(108)119-39-20-72-157-149(119)152(122)161-135)49-58-114(125)131-85-145-133(84-129(131)127(113)78-96)117-61-53-100(138-69-65-124-110-35-13-10-32-107(110)121-41-22-74-159-151(121)154(124)163-138)80-143(117)167(145)103-56-70-142-132(82-103)116-38-16-17-42-141(116)166(142)102-28-6-3-7-29-102/h2-87H,1H3
• InChIKey: QXDUGMFKEGRUAP-UHFFFAOYSA-N
• XLogP: 39.84
• TPSA: 143.69 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2133.51
LogP ≤ 5	39.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 20-benzo[f][1,10]phenanthrolin-11-yl-11-[3-[2-[5-(4-benzo[f][1,10]phenanthrolin-11-yl-2-methylphenyl)-20-(1,10-phenanthrolin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaen-23-yl]-6-phenylpyrimidin-4-yl]phenyl]-5-(4-benzo[f][1,10]phenanthrolin-11-ylphenyl)-23-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene?

The IUPAC name of 20-benzo[f][1,10]phenanthrolin-11-yl-11-[3-[2-[5-(4-benzo[f][1,10]phenanthrolin-11-yl-2-methylphenyl)-20-(1,10-phenanthrolin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaen-23-yl]-6-phenylpyrimidin-4-yl]phenyl]-5-(4-benzo[f][1,10]phenanthrolin-11-ylphenyl)-23-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene (CID 130178202) is 20-benzo[f][1,10]phenanthrolin-11-yl-11-[3-[2-[5-(4-benzo[f][1,10]phenanthrolin-11-yl-2-methylphenyl)-20-(1,10-phenanthrolin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaen-23-yl]-6-phenylpyrimidin-4-yl]phenyl]-5-(4-benzo[f][1,10]phenanthrolin-11-ylphenyl)-23-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene.

What is the SMILES notation for 20-benzo[f][1,10]phenanthrolin-11-yl-11-[3-[2-[5-(4-benzo[f][1,10]phenanthrolin-11-yl-2-methylphenyl)-20-(1,10-phenanthrolin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaen-23-yl]-6-phenylpyrimidin-4-yl]phenyl]-5-(4-benzo[f][1,10]phenanthrolin-11-ylphenyl)-23-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene?

The canonical SMILES for 20-benzo[f][1,10]phenanthrolin-11-yl-11-[3-[2-[5-(4-benzo[f][1,10]phenanthrolin-11-yl-2-methylphenyl)-20-(1,10-phenanthrolin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaen-23-yl]-6-phenylpyrimidin-4-yl]phenyl]-5-(4-benzo[f][1,10]phenanthrolin-11-ylphenyl)-23-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene is Cc1cc(-c2ccc3c4ccccc4c4cccnc4c3n2)ccc1-c1ccc2c(c1)c1ccccc1c1cc3c4ccc(-c5ccc6ccc7cccnc7c6n5)cc4n(-c4nc(-c5ccccc5)cc(-c5cccc(-c6ccc7c8cc(-c9ccc(-c%10ccc%11c%12ccccc%12c%12cccnc%12c%11n%10)cc9)ccc8c8cc9c(cc8c7c6)c6ccc(-c7ccc8c%10ccccc%10c%10cccnc%10c8n7)cc6n9-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)n4)c3cc21.

What is the InChIKey of 20-benzo[f][1,10]phenanthrolin-11-yl-11-[3-[2-[5-(4-benzo[f][1,10]phenanthrolin-11-yl-2-methylphenyl)-20-(1,10-phenanthrolin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaen-23-yl]-6-phenylpyrimidin-4-yl]phenyl]-5-(4-benzo[f][1,10]phenanthrolin-11-ylphenyl)-23-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene?

The InChIKey is QXDUGMFKEGRUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C155H89N13/c1-88-75-99(137-68-64-123-109-34-12-9-31-106(109)120-40-21-73-158-150(120)153(123)162-137)52-57-104(88)97-51-60-115-126(79-97)111-36-14-15-37-112(111)128-83-134-118-62-54-101(136-66-55-93-48-47-92-27-19-71-156-147(92)148(93)160-136)81-144(118)168(146(134)86-130(115)128)155-164-139(90-23-4-2-5-24-90)87-140(165-155)98-26-18-25-94(76-98)96-50-59-113-125-77-95(89-43-45-91(46-44-89)135-67-63-122-108-33-11-8-30-105(108)119-39-20-72-157-149(119)152(122)161-135)49-58-114(125)131-85-145-133(84-129(131)127(113)78-96)117-61-53-100(138-69-65-124-110-35-13-10-32-107(110)121-41-22-74-159-151(121)154(124)163-138)80-143(117)167(145)103-56-70-142-132(82-103)116-38-16-17-42-141(116)166(142)102-28-6-3-7-29-102/h2-87H,1H3.

What are the key properties of 20-benzo[f][1,10]phenanthrolin-11-yl-11-[3-[2-[5-(4-benzo[f][1,10]phenanthrolin-11-yl-2-methylphenyl)-20-(1,10-phenanthrolin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaen-23-yl]-6-phenylpyrimidin-4-yl]phenyl]-5-(4-benzo[f][1,10]phenanthrolin-11-ylphenyl)-23-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene?

20-benzo[f][1,10]phenanthrolin-11-yl-11-[3-[2-[5-(4-benzo[f][1,10]phenanthrolin-11-yl-2-methylphenyl)-20-(1,10-phenanthrolin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaen-23-yl]-6-phenylpyrimidin-4-yl]phenyl]-5-(4-benzo[f][1,10]phenanthrolin-11-ylphenyl)-23-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene has a molecular weight of 2133.51 g/mol, XLogP of 39.84, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 20-benzo[f][1,10]phenanthrolin-11-yl-11-[3-[2-[5-(4-benzo[f][1,10]phenanthrolin-11-yl-2-methylphenyl)-20-(1,10-phenanthrolin-2-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17(22),18,20-dodecaen-23-yl]-6-phenylpyrimidin-4-yl]phenyl]-5-(4-benzo[f][1,10]phenanthrolin-11-ylphenyl)-23-(9-phenylcarbazol-3-yl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2(7),3,5,8(13),9,11,15,17(22),18,20,24-dodecaene is sourced from PubChem (CID 130178202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).