10,10-dimethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,10,12,12-tetramethyl-7-(10-phenylanthracen-9-yl)indeno[2,1-b]fluorene

C87H64 — CID 162244977

IUPAC10,10-dimethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,10,12,12-tetramethyl-7-(10-phenylanthracen-9-yl)indeno[2,1-b]fluorene
SMILESCC1(C)c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2-c2cc3ccc4ccccc4c3cc21.CC1(C)c2ccccc2-c2cc3c(cc21)C(C)(C)c1ccc(-c2c4ccccc4c(-c4ccccc4)c4ccccc24)cc1-3
InChIInChI=1S/C44H34.C43H30/c1-43(2)37-21-13-12-16-29(37)35-25-36-34-24-28(22-23-38(34)44(3,4)40(36)26-39(35)43)42-32-19-10-8-17-30(32)41(27-14-6-5-7-15-27)31-18-9-11-20-33(31)42;1-43(2)39-23-22-30(25-37(39)38-24-29-21-20-27-12-6-7-15-31(27)36(29)26-40(38)43)42-34-18-10-8-16-32(34)41(28-13-4-3-5-14-28)33-17-9-11-19-35(33)42/h5-26H,1-4H3;3-26H,1-2H3
InChIKeyZXFCPSNJKMYGDP-UHFFFAOYSA-N
MW1109.47 g/mol
LogP23.88
Rot. Bonds4

About 10,10-dimethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,10,12,12-tetramethyl-7-(10-phenylanthracen-9-yl)indeno[2,1-b]fluorene

10,10-dimethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,10,12,12-tetramethyl-7-(10-phenylanthracen-9-yl)indeno[2,1-b]fluorene (PubChem CID 162244977) has the molecular formula C87H64 and a molecular weight of 1109.47 g/mol. Its IUPAC name is 10,10-dimethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,10,12,12-tetramethyl-7-(10-phenylanthracen-9-yl)indeno[2,1-b]fluorene.

Molecular Properties

Compound Name10,10-dimethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,10,12,12-tetramethyl-7-(10-phenylanthracen-9-yl)indeno[2,1-b]fluorene
PubChem CID162244977
Molecular FormulaC87H64
Molecular Weight1109.47 g/mol
Exact Mass1108.50
IUPAC Name10,10-dimethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,10,12,12-tetramethyl-7-(10-phenylanthracen-9-yl)indeno[2,1-b]fluorene
SMILESCC1(C)c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2-c2cc3ccc4ccccc4c3cc21.CC1(C)c2ccccc2-c2cc3c(cc21)C(C)(C)c1ccc(-c2c4ccccc4c(-c4ccccc4)c4ccccc24)cc1-3
InChIInChI=1S/C44H34.C43H30/c1-43(2)37-21-13-12-16-29(37)35-25-36-34-24-28(22-23-38(34)44(3,4)40(36)26-39(35)43)42-32-19-10-8-17-30(32)41(27-14-6-5-7-15-27)31-18-9-11-20-33(31)42;1-43(2)39-23-22-30(25-37(39)38-24-29-21-20-27-12-6-7-15-31(27)36(29)26-40(38)43)42-34-18-10-8-16-32(34)41(28-13-4-3-5-14-28)33-17-9-11-19-35(33)42/h5-26H,1-4H3;3-26H,1-2H3
InChIKeyZXFCPSNJKMYGDP-UHFFFAOYSA-N
XLogP23.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001109.47
LogP ≤ 523.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 10,10-dimethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,10,12,12-tetramethyl-7-(10-phenylanthracen-9-yl)indeno[2,1-b]fluorene with MolForge

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Related Compounds

10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;ethane
CID 90782904
11,11-dimethyl-3-(10-phenanthren-2-ylanthracen-9-yl)benzo[b]fluorene
CID 140724201
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene
CID 140942127
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
7,7-dimethyl-2-(10-phenylanthracen-9-yl)benzo[c]fluorene
CID 158971637
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824
16-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaene
CID 123570677
10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene
CID 140863269
23,23-dimethyl-19-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 140934962
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-dinaphthalen-1-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 165023412
11,11-dimethyl-3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]benzo[b]fluorene
CID 156677070

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,10,12,12-tetramethyl-7-(10-phenylanthracen-9-yl)indeno[2,1-b]fluorene?
The IUPAC name of 10,10-dimethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,10,12,12-tetramethyl-7-(10-phenylanthracen-9-yl)indeno[2,1-b]fluorene (CID 162244977) is 10,10-dimethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,10,12,12-tetramethyl-7-(10-phenylanthracen-9-yl)indeno[2,1-b]fluorene.
What is the SMILES notation for 10,10-dimethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,10,12,12-tetramethyl-7-(10-phenylanthracen-9-yl)indeno[2,1-b]fluorene?
The canonical SMILES for 10,10-dimethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,10,12,12-tetramethyl-7-(10-phenylanthracen-9-yl)indeno[2,1-b]fluorene is CC1(C)c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2-c2cc3ccc4ccccc4c3cc21.CC1(C)c2ccccc2-c2cc3c(cc21)C(C)(C)c1ccc(-c2c4ccccc4c(-c4ccccc4)c4ccccc24)cc1-3.
What is the InChIKey of 10,10-dimethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,10,12,12-tetramethyl-7-(10-phenylanthracen-9-yl)indeno[2,1-b]fluorene?
The InChIKey is ZXFCPSNJKMYGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34.C43H30/c1-43(2)37-21-13-12-16-29(37)35-25-36-34-24-28(22-23-38(34)44(3,4)40(36)26-39(35)43)42-32-19-10-8-17-30(32)41(27-14-6-5-7-15-27)31-18-9-11-20-33(31)42;1-43(2)39-23-22-30(25-37(39)38-24-29-21-20-27-12-6-7-15-31(27)36(29)26-40(38)43)42-34-18-10-8-16-32(34)41(28-13-4-3-5-14-28)33-17-9-11-19-35(33)42/h5-26H,1-4H3;3-26H,1-2H3.
What are the key properties of 10,10-dimethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,10,12,12-tetramethyl-7-(10-phenylanthracen-9-yl)indeno[2,1-b]fluorene?
10,10-dimethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,10,12,12-tetramethyl-7-(10-phenylanthracen-9-yl)indeno[2,1-b]fluorene has a molecular weight of 1109.47 g/mol, XLogP of 23.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,10,12,12-tetramethyl-7-(10-phenylanthracen-9-yl)indeno[2,1-b]fluorene is sourced from PubChem (CID 162244977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).