5,10-di(phenanthren-9-yl)indeno[2,1-a]indene;hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;12-methylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;2-(10-naphthalen-1-ylindeno[1,2-b]inden-5-yl)triphenylene;12-phenylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene

C167H100 — CID 158334550

About 5,10-di(phenanthren-9-yl)indeno[2,1-a]indene;hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;12-methylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;2-(10-naphthalen-1-ylindeno[1,2-b]inden-5-yl)triphenylene;12-phenylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene

5,10-di(phenanthren-9-yl)indeno[2,1-a]indene;hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;12-methylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;2-(10-naphthalen-1-ylindeno[1,2-b]inden-5-yl)triphenylene;12-phenylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene (PubChem CID 158334550) has the molecular formula C167H100 and a molecular weight of 2106.64 g/mol. Its IUPAC name is 5,10-di(phenanthren-9-yl)indeno[2,1-a]indene;hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;12-methylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;2-(10-naphthalen-1-ylindeno[1,2-b]inden-5-yl)triphenylene;12-phenylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene.

Molecular Properties

• Compound Name: 5,10-di(phenanthren-9-yl)indeno[2,1-a]indene;hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;12-methylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;2-(10-naphthalen-1-ylindeno[1,2-b]inden-5-yl)triphenylene;12-phenylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
• PubChem CID: 158334550
• Molecular Formula: C167H100
• Molecular Weight: 2106.64 g/mol
• Exact Mass: 2104.78
• IUPAC Name: 5,10-di(phenanthren-9-yl)indeno[2,1-a]indene;hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;12-methylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;2-(10-naphthalen-1-ylindeno[1,2-b]inden-5-yl)triphenylene;12-phenylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
• SMILES: C1=C2C(=C(c3ccccc3)c3cc4ccccc4cc32)c2cc3ccccc3cc21.C1=C2C(=Cc3cc4ccccc4cc32)c2cc3ccccc3cc21.CC1=C2C(=Cc3cc4ccccc4cc32)c2cc3ccccc3cc21.c1ccc2c(c1)C1=C(c3cc4ccccc4c4ccccc34)c3ccccc3C1=C2c1cc2ccccc2c2ccccc12.c1ccc2c(c1)C1=C(c3cccc4ccccc34)c3ccccc3C1=C2c1ccc2c3ccccc3c3ccccc3c2c1
• InChI: InChI=1S/2C44H26.C30H18.C25H16.C24H14/c1-3-15-29-27(13-1)25-39(33-19-7-5-17-31(29)33)41-35-21-9-11-23-37(35)44-42(36-22-10-12-24-38(36)43(41)44)40-26-28-14-2-4-16-30(28)32-18-6-8-20-34(32)40;1-2-14-29-27(12-1)13-11-23-35(29)42-37-20-8-10-22-39(37)43-41(36-19-7-9-21-38(36)44(42)43)28-24-25-34-32-17-4-3-15-30(32)31-16-5-6-18-33(31)40(34)26-28;1-2-8-19(9-3-1)29-27-17-23-13-7-6-12-22(23)16-26(27)28-18-24-14-20-10-4-5-11-21(20)15-25(24)30(28)29;1-15-21-11-17-7-4-5-9-19(17)13-23(21)24-14-20-10-16-6-2-3-8-18(16)12-22(20)25(15)24;1-3-7-17-11-21-19(9-15(17)5-1)13-23-22-12-18-8-4-2-6-16(18)10-20(22)14-24(21)23/h2*1-26H;1-18H;2-14H,1H3;1-14H
• InChIKey: GQKOECDRSKDLSM-UHFFFAOYSA-N
• XLogP: 44.10
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2106.64
LogP ≤ 5	44.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,10-di(phenanthren-9-yl)indeno[2,1-a]indene;hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;12-methylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;2-(10-naphthalen-1-ylindeno[1,2-b]inden-5-yl)triphenylene;12-phenylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?

The IUPAC name of 5,10-di(phenanthren-9-yl)indeno[2,1-a]indene;hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;12-methylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;2-(10-naphthalen-1-ylindeno[1,2-b]inden-5-yl)triphenylene;12-phenylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene (CID 158334550) is 5,10-di(phenanthren-9-yl)indeno[2,1-a]indene;hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;12-methylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;2-(10-naphthalen-1-ylindeno[1,2-b]inden-5-yl)triphenylene;12-phenylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene.

What is the SMILES notation for 5,10-di(phenanthren-9-yl)indeno[2,1-a]indene;hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;12-methylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;2-(10-naphthalen-1-ylindeno[1,2-b]inden-5-yl)triphenylene;12-phenylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?

The canonical SMILES for 5,10-di(phenanthren-9-yl)indeno[2,1-a]indene;hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;12-methylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;2-(10-naphthalen-1-ylindeno[1,2-b]inden-5-yl)triphenylene;12-phenylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene is C1=C2C(=C(c3ccccc3)c3cc4ccccc4cc32)c2cc3ccccc3cc21.C1=C2C(=Cc3cc4ccccc4cc32)c2cc3ccccc3cc21.CC1=C2C(=Cc3cc4ccccc4cc32)c2cc3ccccc3cc21.c1ccc2c(c1)C1=C(c3cc4ccccc4c4ccccc34)c3ccccc3C1=C2c1cc2ccccc2c2ccccc12.c1ccc2c(c1)C1=C(c3cccc4ccccc34)c3ccccc3C1=C2c1ccc2c3ccccc3c3ccccc3c2c1.

What is the InChIKey of 5,10-di(phenanthren-9-yl)indeno[2,1-a]indene;hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;12-methylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;2-(10-naphthalen-1-ylindeno[1,2-b]inden-5-yl)triphenylene;12-phenylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?

The InChIKey is GQKOECDRSKDLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H26.C30H18.C25H16.C24H14/c1-3-15-29-27(13-1)25-39(33-19-7-5-17-31(29)33)41-35-21-9-11-23-37(35)44-42(36-22-10-12-24-38(36)43(41)44)40-26-28-14-2-4-16-30(28)32-18-6-8-20-34(32)40;1-2-14-29-27(12-1)13-11-23-35(29)42-37-20-8-10-22-39(37)43-41(36-19-7-9-21-38(36)44(42)43)28-24-25-34-32-17-4-3-15-30(32)31-16-5-6-18-33(31)40(34)26-28;1-2-8-19(9-3-1)29-27-17-23-13-7-6-12-22(23)16-26(27)28-18-24-14-20-10-4-5-11-21(20)15-25(24)30(28)29;1-15-21-11-17-7-4-5-9-19(17)13-23(21)24-14-20-10-16-6-2-3-8-18(16)12-22(20)25(15)24;1-3-7-17-11-21-19(9-15(17)5-1)13-23-22-12-18-8-4-2-6-16(18)10-20(22)14-24(21)23/h2*1-26H;1-18H;2-14H,1H3;1-14H.

What are the key properties of 5,10-di(phenanthren-9-yl)indeno[2,1-a]indene;hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;12-methylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;2-(10-naphthalen-1-ylindeno[1,2-b]inden-5-yl)triphenylene;12-phenylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?

5,10-di(phenanthren-9-yl)indeno[2,1-a]indene;hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;12-methylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;2-(10-naphthalen-1-ylindeno[1,2-b]inden-5-yl)triphenylene;12-phenylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene has a molecular weight of 2106.64 g/mol, XLogP of 44.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10-di(phenanthren-9-yl)indeno[2,1-a]indene;hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;12-methylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene;2-(10-naphthalen-1-ylindeno[1,2-b]inden-5-yl)triphenylene;12-phenylhexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene is sourced from PubChem (CID 158334550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).