8,8-dimethyl-22-(9-phenyl-9H-fluoren-3-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene

C44H31N — CID 134510254

IUPAC8,8-dimethyl-22-(9-phenyl-9H-fluoren-3-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
SMILESCC1(C)c2ccccc2-c2c3c1cccc3cc1c3ccccc3n(-c3ccc4c(c3)-c3ccccc3C4c3ccccc3)c21
InChIInChI=1S/C44H31N/c1-44(2)37-20-10-8-19-34(37)42-41-28(15-12-21-38(41)44)25-36-31-17-9-11-22-39(31)45(43(36)42)29-23-24-33-35(26-29)30-16-6-7-18-32(30)40(33)27-13-4-3-5-14-27/h3-26,40H,1-2H3
InChIKeyJSCDAILXVJMFCM-UHFFFAOYSA-N
MW573.74 g/mol
LogP11.40
Rot. Bonds2

About 8,8-dimethyl-22-(9-phenyl-9H-fluoren-3-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene

8,8-dimethyl-22-(9-phenyl-9H-fluoren-3-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene (PubChem CID 134510254) has the molecular formula C44H31N and a molecular weight of 573.74 g/mol. Its IUPAC name is 8,8-dimethyl-22-(9-phenyl-9H-fluoren-3-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene.

Molecular Properties

Compound Name8,8-dimethyl-22-(9-phenyl-9H-fluoren-3-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
PubChem CID134510254
Molecular FormulaC44H31N
Molecular Weight573.74 g/mol
Exact Mass573.25
IUPAC Name8,8-dimethyl-22-(9-phenyl-9H-fluoren-3-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
SMILESCC1(C)c2ccccc2-c2c3c1cccc3cc1c3ccccc3n(-c3ccc4c(c3)-c3ccccc3C4c3ccccc3)c21
InChIInChI=1S/C44H31N/c1-44(2)37-20-10-8-19-34(37)42-41-28(15-12-21-38(41)44)25-36-31-17-9-11-22-39(31)45(43(36)42)29-23-24-33-35(26-29)30-16-6-7-18-32(30)40(33)27-13-4-3-5-14-27/h3-26,40H,1-2H3
InChIKeyJSCDAILXVJMFCM-UHFFFAOYSA-N
XLogP11.40
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.74
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8,8-dimethyl-22-(9-phenyl-9H-fluoren-3-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene with MolForge

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Related Compounds

22-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510071
8,8-dimethyl-22-(4-naphthalen-2-ylphenyl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510009
22-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510065
22-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510068
21,21-dimethyl-3-naphthalen-2-yl-3-azaheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,19,22,24,26-tridecaene
CID 134510204
22-[4-(5,6-didehydropyridin-4-yl)phenyl]-8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 145199037
12-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]-7H-indeno[1,2-a]carbazole
CID 156573457
14-(8,8-dimethyl-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaen-22-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 134510082
8,8-dimethyl-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene
CID 134510050
25-(9-phenyl-9H-fluoren-3-yl)-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 126720209
4-phenyl-9-(9-phenyl-9H-fluoren-3-yl)carbazole
CID 171458068
7,7-dimethyl-3-(9-naphthalen-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indeno[1,2-a]carbazole;12,12-dimethyl-8-(9-naphthalen-2-yl-9H-fluoren-3-yl)-11-(3-phenylphenyl)indeno[2,1-a]carbazole
CID 157291315

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-22-(9-phenyl-9H-fluoren-3-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene?
The IUPAC name of 8,8-dimethyl-22-(9-phenyl-9H-fluoren-3-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene (CID 134510254) is 8,8-dimethyl-22-(9-phenyl-9H-fluoren-3-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene.
What is the SMILES notation for 8,8-dimethyl-22-(9-phenyl-9H-fluoren-3-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene?
The canonical SMILES for 8,8-dimethyl-22-(9-phenyl-9H-fluoren-3-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene is CC1(C)c2ccccc2-c2c3c1cccc3cc1c3ccccc3n(-c3ccc4c(c3)-c3ccccc3C4c3ccccc3)c21.
What is the InChIKey of 8,8-dimethyl-22-(9-phenyl-9H-fluoren-3-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene?
The InChIKey is JSCDAILXVJMFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N/c1-44(2)37-20-10-8-19-34(37)42-41-28(15-12-21-38(41)44)25-36-31-17-9-11-22-39(31)45(43(36)42)29-23-24-33-35(26-29)30-16-6-7-18-32(30)40(33)27-13-4-3-5-14-27/h3-26,40H,1-2H3.
What are the key properties of 8,8-dimethyl-22-(9-phenyl-9H-fluoren-3-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene?
8,8-dimethyl-22-(9-phenyl-9H-fluoren-3-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene has a molecular weight of 573.74 g/mol, XLogP of 11.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-22-(9-phenyl-9H-fluoren-3-yl)-22-azahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-1(24),2,4,6,9,11,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 134510254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).