8-(9,9-dimethylfluoren-3-yl)-1,4-dimethyl-21-phenyl-8-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene

C46H35N — CID 164829320

IUPAC8-(9,9-dimethylfluoren-3-yl)-1,4-dimethyl-21-phenyl-8-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene
SMILESCc1ccc2c(c1)C1(C)c3cc(-c4ccccc4)c4ccccc4c3-c3cccc(c31)N2c1ccc2c(c1)-c1ccccc1C2(C)C
InChIInChI=1S/C46H35N/c1-28-21-24-41-39(25-28)46(4)40-27-35(29-13-6-5-7-14-29)31-15-8-9-17-33(31)43(40)34-18-12-20-42(44(34)46)47(41)30-22-23-38-36(26-30)32-16-10-11-19-37(32)45(38,2)3/h5-27H,1-4H3
InChIKeySHXFKKBFIBUHSP-UHFFFAOYSA-N
MW601.79 g/mol
LogP12.24
Rot. Bonds2

About 8-(9,9-dimethylfluoren-3-yl)-1,4-dimethyl-21-phenyl-8-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene

8-(9,9-dimethylfluoren-3-yl)-1,4-dimethyl-21-phenyl-8-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene (PubChem CID 164829320) has the molecular formula C46H35N and a molecular weight of 601.79 g/mol. Its IUPAC name is 8-(9,9-dimethylfluoren-3-yl)-1,4-dimethyl-21-phenyl-8-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name8-(9,9-dimethylfluoren-3-yl)-1,4-dimethyl-21-phenyl-8-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene
PubChem CID164829320
Molecular FormulaC46H35N
Molecular Weight601.79 g/mol
Exact Mass601.28
IUPAC Name8-(9,9-dimethylfluoren-3-yl)-1,4-dimethyl-21-phenyl-8-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene
SMILESCc1ccc2c(c1)C1(C)c3cc(-c4ccccc4)c4ccccc4c3-c3cccc(c31)N2c1ccc2c(c1)-c1ccccc1C2(C)C
InChIInChI=1S/C46H35N/c1-28-21-24-41-39(25-28)46(4)40-27-35(29-13-6-5-7-14-29)31-15-8-9-17-33(31)43(40)34-18-12-20-42(44(34)46)47(41)30-22-23-38-36(26-30)32-16-10-11-19-37(32)45(38,2)3/h5-27H,1-4H3
InChIKeySHXFKKBFIBUHSP-UHFFFAOYSA-N
XLogP12.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.79
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-(9,9-dimethylfluoren-3-yl)-1,4-dimethyl-21-phenyl-8-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene with MolForge

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Related Compounds

1,4,4-trimethyl-15-[4-(4-phenylnaphthalen-1-yl)phenyl]-15-azaheptacyclo[14.10.1.02,14.03,11.05,10.020,27.021,26]heptacosa-2(14),3(11),5,7,9,12,16,18,20(27),21,23,25-dodecaene
CID 166803731
1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]-9,9-dimethyl-10-phenylacridine
CID 155333450
N-(9,9-dimethylfluoren-3-yl)-7,7-dimethyl-N-(4-methylphenyl)-5-phenylbenzo[g]fluoren-8-amine
CID 164829480
2-[9-(7,7-dimethylbenzo[c]fluoren-5-yl)-10-phenylanthracen-2-yl]-9,9-dimethyl-10-phenylacridine
CID 89024085
10,10,21,21-tetramethyl-14-(6-methylnaphthalen-2-yl)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139460040
14-[9,10-diphenyl-6-(2,7,9,9-tetramethylacridin-10-yl)anthracen-2-yl]-21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146213328
14-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130439455
13-(3-dibenzothiophen-1-ylphenyl)-17-(9,9-dimethylfluoren-2-yl)-1-methyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 139568110
5-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]-6-(10-methylphenazin-5-yl)-10-naphthalen-2-ylanthracen-2-yl]-10-methylphenazine;5-[9-(3,5-dimethylphenyl)-6-(10-methylphenazin-5-yl)-10-naphthalen-2-ylanthracen-2-yl]-10-methylphenazine;5-methyl-10-[6-(10-methylphenazin-5-yl)-9-(3-methylphenyl)-10-naphthalen-2-ylanthracen-2-yl]phenazine;5-methyl-10-[6-(10-methylphenazin-5-yl)-9-(4-methylphenyl)-10-naphthalen-2-ylanthracen-2-yl]phenazine;5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenazine;5-methyl-10-[6-(10-methylphenazin-5-yl)-9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracen-2-yl]phenazine
CID 160575581
10-[6-(9,9-dimethylacridin-10-yl)-9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,9-dimethylacridine
CID 59219699
2-(9,9-dimethylacridin-10-yl)-11,11-dimethyl-5-(4-methylphenyl)indeno[1,2-b]carbazole
CID 58501385
5-[9-(9,9-dimethylfluoren-2-yl)-6-(10-methylphenazin-5-yl)-10-(4-methylphenyl)anthracen-2-yl]-10-methylphenazine
CID 59220288

Frequently Asked Questions

What is the IUPAC name of 8-(9,9-dimethylfluoren-3-yl)-1,4-dimethyl-21-phenyl-8-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene?
The IUPAC name of 8-(9,9-dimethylfluoren-3-yl)-1,4-dimethyl-21-phenyl-8-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene (CID 164829320) is 8-(9,9-dimethylfluoren-3-yl)-1,4-dimethyl-21-phenyl-8-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene.
What is the SMILES notation for 8-(9,9-dimethylfluoren-3-yl)-1,4-dimethyl-21-phenyl-8-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene?
The canonical SMILES for 8-(9,9-dimethylfluoren-3-yl)-1,4-dimethyl-21-phenyl-8-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene is Cc1ccc2c(c1)C1(C)c3cc(-c4ccccc4)c4ccccc4c3-c3cccc(c31)N2c1ccc2c(c1)-c1ccccc1C2(C)C.
What is the InChIKey of 8-(9,9-dimethylfluoren-3-yl)-1,4-dimethyl-21-phenyl-8-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene?
The InChIKey is SHXFKKBFIBUHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N/c1-28-21-24-41-39(25-28)46(4)40-27-35(29-13-6-5-7-14-29)31-15-8-9-17-33(31)43(40)34-18-12-20-42(44(34)46)47(41)30-22-23-38-36(26-30)32-16-10-11-19-37(32)45(38,2)3/h5-27H,1-4H3.
What are the key properties of 8-(9,9-dimethylfluoren-3-yl)-1,4-dimethyl-21-phenyl-8-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene?
8-(9,9-dimethylfluoren-3-yl)-1,4-dimethyl-21-phenyl-8-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene has a molecular weight of 601.79 g/mol, XLogP of 12.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9,9-dimethylfluoren-3-yl)-1,4-dimethyl-21-phenyl-8-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaene is sourced from PubChem (CID 164829320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).