11,11-dimethyl-9-(10-phenanthren-1-ylanthracen-9-yl)benzo[a]fluorene;3-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene;8-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene

C135H84 — CID 159708205

IUPAC11,11-dimethyl-9-(10-phenanthren-1-ylanthracen-9-yl)benzo[a]fluorene;3-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene;8-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4cccc5c4ccc4ccccc45)c4ccccc34)ccc2-c2ccc3ccccc3c21.c1cc2c3c(cccc3c1)-c1cc(-c3c4ccccc4c(-c4cccc5c4ccc4ccccc45)c4ccccc34)ccc1-2.c1ccc2c(c1)-c1cccc3c(-c4c5ccccc5c(-c5cccc6c5ccc5ccccc56)c5ccccc45)ccc-2c13
InChIInChI=1S/C47H32.2C44H26/c1-47(2)43-28-31(24-26-36(43)42-27-23-30-13-4-6-15-33(30)46(42)47)44-38-16-7-9-18-40(38)45(41-19-10-8-17-39(41)44)37-21-11-20-34-32-14-5-3-12-29(32)22-25-35(34)37;1-2-13-30-27(10-1)22-24-32-31(30)18-9-21-35(32)44-38-16-5-3-14-36(38)43(37-15-4-6-17-39(37)44)29-23-25-33-34-19-7-11-28-12-8-20-40(42(28)34)41(33)26-29;1-2-12-28-27(11-1)23-24-32-29(28)19-9-20-34(32)42-35-15-5-7-17-37(35)44(38-18-8-6-16-36(38)42)41-26-25-40-31-14-4-3-13-30(31)33-21-10-22-39(41)43(33)40/h3-28H,1-2H3;2*1-26H
InChIKeyMYMKYPOLDLPTNE-UHFFFAOYSA-N
MW1706.16 g/mol
LogP37.96
Rot. Bonds6

About 11,11-dimethyl-9-(10-phenanthren-1-ylanthracen-9-yl)benzo[a]fluorene;3-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene;8-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene

11,11-dimethyl-9-(10-phenanthren-1-ylanthracen-9-yl)benzo[a]fluorene;3-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene;8-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene (PubChem CID 159708205) has the molecular formula C135H84 and a molecular weight of 1706.16 g/mol. Its IUPAC name is 11,11-dimethyl-9-(10-phenanthren-1-ylanthracen-9-yl)benzo[a]fluorene;3-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene;8-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene.

Molecular Properties

Compound Name11,11-dimethyl-9-(10-phenanthren-1-ylanthracen-9-yl)benzo[a]fluorene;3-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene;8-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene
PubChem CID159708205
Molecular FormulaC135H84
Molecular Weight1706.16 g/mol
Exact Mass1704.66
IUPAC Name11,11-dimethyl-9-(10-phenanthren-1-ylanthracen-9-yl)benzo[a]fluorene;3-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene;8-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4cccc5c4ccc4ccccc45)c4ccccc34)ccc2-c2ccc3ccccc3c21.c1cc2c3c(cccc3c1)-c1cc(-c3c4ccccc4c(-c4cccc5c4ccc4ccccc45)c4ccccc34)ccc1-2.c1ccc2c(c1)-c1cccc3c(-c4c5ccccc5c(-c5cccc6c5ccc5ccccc56)c5ccccc45)ccc-2c13
InChIInChI=1S/C47H32.2C44H26/c1-47(2)43-28-31(24-26-36(43)42-27-23-30-13-4-6-15-33(30)46(42)47)44-38-16-7-9-18-40(38)45(41-19-10-8-17-39(41)44)37-21-11-20-34-32-14-5-3-12-29(32)22-25-35(34)37;1-2-13-30-27(10-1)22-24-32-31(30)18-9-21-35(32)44-38-16-5-3-14-36(38)43(37-15-4-6-17-39(37)44)29-23-25-33-34-19-7-11-28-12-8-20-40(42(28)34)41(33)26-29;1-2-12-28-27(11-1)23-24-32-29(28)19-9-20-34(32)42-35-15-5-7-17-37(35)44(38-18-8-6-16-36(38)42)41-26-25-40-31-14-4-3-13-30(31)33-21-10-22-39(41)43(33)40/h3-28H,1-2H3;2*1-26H
InChIKeyMYMKYPOLDLPTNE-UHFFFAOYSA-N
XLogP37.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001706.16
LogP ≤ 537.96
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 11,11-dimethyl-9-(10-phenanthren-1-ylanthracen-9-yl)benzo[a]fluorene;3-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene;8-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene with MolForge

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Related Compounds

11,11-dimethyl-9-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene
CID 58194555
11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene
CID 144583230
9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene
CID 160542211
11,11-dimethyl-9-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]benzo[a]fluorene
CID 163596374
8-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-11,11-dimethylbenzo[a]fluorene
CID 140724296
11,11-dimethyl-8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene;11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene
CID 163751276
4-[10-[3-(11,11-dimethylbenzo[a]fluoren-8-yl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 140724450
10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene
CID 158578384
8,8,13,13-tetramethyl-5,16-bis(10-naphthalen-1-ylanthracen-9-yl)hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59182479
15,15-dimethyl-18-(10-naphthalen-1-ylanthracen-9-yl)-12-thiahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene
CID 130189691
11,11-dimethyl-9-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]benzo[a]fluorene
CID 163947957
11,11-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-8-[3-(10-phenylanthracen-9-yl)phenyl]benzo[a]fluorene
CID 159897883

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-9-(10-phenanthren-1-ylanthracen-9-yl)benzo[a]fluorene;3-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene;8-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene?
The IUPAC name of 11,11-dimethyl-9-(10-phenanthren-1-ylanthracen-9-yl)benzo[a]fluorene;3-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene;8-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene (CID 159708205) is 11,11-dimethyl-9-(10-phenanthren-1-ylanthracen-9-yl)benzo[a]fluorene;3-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene;8-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene.
What is the SMILES notation for 11,11-dimethyl-9-(10-phenanthren-1-ylanthracen-9-yl)benzo[a]fluorene;3-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene;8-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene?
The canonical SMILES for 11,11-dimethyl-9-(10-phenanthren-1-ylanthracen-9-yl)benzo[a]fluorene;3-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene;8-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene is CC1(C)c2cc(-c3c4ccccc4c(-c4cccc5c4ccc4ccccc45)c4ccccc34)ccc2-c2ccc3ccccc3c21.c1cc2c3c(cccc3c1)-c1cc(-c3c4ccccc4c(-c4cccc5c4ccc4ccccc45)c4ccccc34)ccc1-2.c1ccc2c(c1)-c1cccc3c(-c4c5ccccc5c(-c5cccc6c5ccc5ccccc56)c5ccccc45)ccc-2c13.
What is the InChIKey of 11,11-dimethyl-9-(10-phenanthren-1-ylanthracen-9-yl)benzo[a]fluorene;3-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene;8-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene?
The InChIKey is MYMKYPOLDLPTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32.2C44H26/c1-47(2)43-28-31(24-26-36(43)42-27-23-30-13-4-6-15-33(30)46(42)47)44-38-16-7-9-18-40(38)45(41-19-10-8-17-39(41)44)37-21-11-20-34-32-14-5-3-12-29(32)22-25-35(34)37;1-2-13-30-27(10-1)22-24-32-31(30)18-9-21-35(32)44-38-16-5-3-14-36(38)43(37-15-4-6-17-39(37)44)29-23-25-33-34-19-7-11-28-12-8-20-40(42(28)34)41(33)26-29;1-2-12-28-27(11-1)23-24-32-29(28)19-9-20-34(32)42-35-15-5-7-17-37(35)44(38-18-8-6-16-36(38)42)41-26-25-40-31-14-4-3-13-30(31)33-21-10-22-39(41)43(33)40/h3-28H,1-2H3;2*1-26H.
What are the key properties of 11,11-dimethyl-9-(10-phenanthren-1-ylanthracen-9-yl)benzo[a]fluorene;3-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene;8-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene?
11,11-dimethyl-9-(10-phenanthren-1-ylanthracen-9-yl)benzo[a]fluorene;3-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene;8-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene has a molecular weight of 1706.16 g/mol, XLogP of 37.96, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-9-(10-phenanthren-1-ylanthracen-9-yl)benzo[a]fluorene;3-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene;8-(10-phenanthren-1-ylanthracen-9-yl)fluoranthene is sourced from PubChem (CID 159708205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).