3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene

C46H33N — CID 118301033

IUPAC3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-n2c4ccccc4c4cc5c6c(cccc6c42)-c2ccccc2-5)cc1C3(C)C
InChIInChI=1S/C46H33N/c1-45(2)38-18-9-7-14-29(38)34-24-41-35(25-40(34)45)30-21-20-26(22-39(30)46(41,3)4)47-42-19-10-8-15-31(42)37-23-36-28-13-6-5-12-27(28)32-16-11-17-33(43(32)36)44(37)47/h5-25H,1-4H3
InChIKeyLTWADHBQDJPNOB-UHFFFAOYSA-N
MW599.78 g/mol
LogP12.20
Rot. Bonds1

About 3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene

3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene (PubChem CID 118301033) has the molecular formula C46H33N and a molecular weight of 599.78 g/mol. Its IUPAC name is 3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene.

Molecular Properties

Compound Name3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene
PubChem CID118301033
Molecular FormulaC46H33N
Molecular Weight599.78 g/mol
Exact Mass599.26
IUPAC Name3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-n2c4ccccc4c4cc5c6c(cccc6c42)-c2ccccc2-5)cc1C3(C)C
InChIInChI=1S/C46H33N/c1-45(2)38-18-9-7-14-29(38)34-24-41-35(25-40(34)45)30-21-20-26(22-39(30)46(41,3)4)47-42-19-10-8-15-31(42)37-23-36-28-13-6-5-12-27(28)32-16-11-17-33(43(32)36)44(37)47/h5-25H,1-4H3
InChIKeyLTWADHBQDJPNOB-UHFFFAOYSA-N
XLogP12.20
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.78
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-carbazol-9-yl-3-phenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene;7-(4-carbazol-9-ylphenyl)-3-phenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaene;3-(14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-10-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene
CID 161139915
11'-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 123926035
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461
9-(9,9-dimethylfluoren-2-yl)-14-(9,9-dimethylfluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122595589
3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole
CID 89472048
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
3,13-bis(9,9-dimethylfluoren-2-yl)-4,5,14,15-tetramethyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene
CID 58161447
1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312405
15-(4-carbazol-9-ylphenyl)-11,11-dimethyl-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,25,27-tridecaene
CID 163787935
2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155357432
9-(9,9-dimethylfluoren-2-yl)-18,18-dimethyl-21-phenyl-9,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635692

Frequently Asked Questions

What is the IUPAC name of 3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene?
The IUPAC name of 3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene (CID 118301033) is 3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene.
What is the SMILES notation for 3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene?
The canonical SMILES for 3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene is CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-n2c4ccccc4c4cc5c6c(cccc6c42)-c2ccccc2-5)cc1C3(C)C.
What is the InChIKey of 3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene?
The InChIKey is LTWADHBQDJPNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N/c1-45(2)38-18-9-7-14-29(38)34-24-41-35(25-40(34)45)30-21-20-26(22-39(30)46(41,3)4)47-42-19-10-8-15-31(42)37-23-36-28-13-6-5-12-27(28)32-16-11-17-33(43(32)36)44(37)47/h5-25H,1-4H3.
What are the key properties of 3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene?
3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene has a molecular weight of 599.78 g/mol, XLogP of 12.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene is sourced from PubChem (CID 118301033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).