10-(9,9-dimethylfluoren-2-yl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene

C29H25N — CID 90076832

IUPAC10-(9,9-dimethylfluoren-2-yl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc4ccccc4c4c3C3CCC4C3)cc21
InChIInChI=1S/C29H25N/c1-29(2)23-9-5-3-7-20(23)21-14-13-19(16-24(21)29)28-27-18-12-11-17(15-18)26(27)22-8-4-6-10-25(22)30-28/h3-10,13-14,16-18H,11-12,15H2,1-2H3
InChIKeyZSMDQDVIMJPZQQ-UHFFFAOYSA-N
MW387.53 g/mol
LogP7.57
Rot. Bonds1

About 10-(9,9-dimethylfluoren-2-yl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene

10-(9,9-dimethylfluoren-2-yl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene (PubChem CID 90076832) has the molecular formula C29H25N and a molecular weight of 387.53 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-2-yl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene.

Molecular Properties

Compound Name10-(9,9-dimethylfluoren-2-yl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene
PubChem CID90076832
Molecular FormulaC29H25N
Molecular Weight387.53 g/mol
Exact Mass387.20
IUPAC Name10-(9,9-dimethylfluoren-2-yl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc4ccccc4c4c3C3CCC4C3)cc21
InChIInChI=1S/C29H25N/c1-29(2)23-9-5-3-7-20(23)21-14-13-19(16-24(21)29)28-27-18-12-11-17(15-18)26(27)22-8-4-6-10-25(22)30-28/h3-10,13-14,16-18H,11-12,15H2,1-2H3
InChIKeyZSMDQDVIMJPZQQ-UHFFFAOYSA-N
XLogP7.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(9,9-dimethylfluoren-2-yl)quinazolin-2-amine
CID 146421035
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
2-(4-dibenzothiophen-1-ylphenyl)-3-(9,9-dimethylfluoren-2-yl)quinoxaline
CID 164985271
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-(3-phenylphenyl)quinazoline;2-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenylquinazoline
CID 167612820
4,6-bis(9,9-dimethylfluoren-2-yl)-2-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline
CID 70836389
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 118427220
4-(11H-benzo[b]fluoren-2-yl)-2-(9,9-dimethylfluoren-2-yl)quinazoline
CID 154589148
5-tert-butyl-10-dibenzofuran-3-yl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3(8),4,6,9-pentaene;10-(3-tert-butyl-5-methylphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene;10-(9,9-dimethylfluoren-2-yl)-4,6-dimethyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene;10-(4-methylphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene;5-methyl-10-(4-phenylphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3(8),4,6,9-pentaene;10-[3-(2-methylpropyl)phenyl]-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene
CID 160843140
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]isoquinoline
CID 53488142
11-(9,9-dimethylfluoren-2-yl)-14-phenyl-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513495
2-(17,17-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaenyl)-3-phenylquinoxaline
CID 164721534
2-(23,23-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),17,19,21-dodecaenyl)-3-phenylquinoxaline
CID 164721777

Frequently Asked Questions

What is the IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene?
The IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene (CID 90076832) is 10-(9,9-dimethylfluoren-2-yl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene.
What is the SMILES notation for 10-(9,9-dimethylfluoren-2-yl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene?
The canonical SMILES for 10-(9,9-dimethylfluoren-2-yl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene is CC1(C)c2ccccc2-c2ccc(-c3nc4ccccc4c4c3C3CCC4C3)cc21.
What is the InChIKey of 10-(9,9-dimethylfluoren-2-yl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene?
The InChIKey is ZSMDQDVIMJPZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N/c1-29(2)23-9-5-3-7-20(23)21-14-13-19(16-24(21)29)28-27-18-12-11-17(15-18)26(27)22-8-4-6-10-25(22)30-28/h3-10,13-14,16-18H,11-12,15H2,1-2H3.
What are the key properties of 10-(9,9-dimethylfluoren-2-yl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene?
10-(9,9-dimethylfluoren-2-yl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene has a molecular weight of 387.53 g/mol, XLogP of 7.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9,9-dimethylfluoren-2-yl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9-pentaene is sourced from PubChem (CID 90076832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).