ethane;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;2-methyl-9-(4-methylphenyl)carbazole;3-methyl-9-(4-methylphenyl)carbazole;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];naphthalene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene

C145H126N2 — CID 160937920

IUPACethane;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;2-methyl-9-(4-methylphenyl)carbazole;3-methyl-9-(4-methylphenyl)carbazole;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];naphthalene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene
SMILESCC.Cc1ccc(-n2c3ccccc3c3cc(C)ccc32)cc1.Cc1ccc(-n2c3ccccc3c3ccc(C)cc32)cc1.Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Cc1ccc2c(c1)CC2.c1ccc2ccccc2c1
InChIInChI=1S/2C26H18.2C20H17N.2C16H16.C10H8.C9H10.C2H6/c1-17-14-15-25-21(16-17)20-10-4-7-13-24(20)26(25)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-14-7-10-16(11-8-14)21-19-6-4-3-5-17(19)18-13-15(2)9-12-20(18)21;1-14-7-10-16(11-8-14)21-19-6-4-3-5-17(19)18-12-9-15(2)13-20(18)21;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-2-6-10-8-4-3-7-9(10)5-1;1-7-2-3-8-4-5-9(8)6-7;1-2/h2*2-16H,1H3;2*3-13H,1-2H3;2*4-10H,1-3H3;1-8H;2-3,6H,4-5H2,1H3;1-2H3
InChIKeySUCSUSBMBBNZGX-UHFFFAOYSA-N
MW1896.62 g/mol
LogP38.04
Rot. Bonds2

About ethane;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;2-methyl-9-(4-methylphenyl)carbazole;3-methyl-9-(4-methylphenyl)carbazole;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];naphthalene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene

ethane;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;2-methyl-9-(4-methylphenyl)carbazole;3-methyl-9-(4-methylphenyl)carbazole;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];naphthalene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene (PubChem CID 160937920) has the molecular formula C145H126N2 and a molecular weight of 1896.62 g/mol. Its IUPAC name is ethane;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;2-methyl-9-(4-methylphenyl)carbazole;3-methyl-9-(4-methylphenyl)carbazole;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];naphthalene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene.

Molecular Properties

Compound Nameethane;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;2-methyl-9-(4-methylphenyl)carbazole;3-methyl-9-(4-methylphenyl)carbazole;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];naphthalene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene
PubChem CID160937920
Molecular FormulaC145H126N2
Molecular Weight1896.62 g/mol
Exact Mass1894.99
IUPAC Nameethane;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;2-methyl-9-(4-methylphenyl)carbazole;3-methyl-9-(4-methylphenyl)carbazole;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];naphthalene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene
SMILESCC.Cc1ccc(-n2c3ccccc3c3cc(C)ccc32)cc1.Cc1ccc(-n2c3ccccc3c3ccc(C)cc32)cc1.Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Cc1ccc2c(c1)CC2.c1ccc2ccccc2c1
InChIInChI=1S/2C26H18.2C20H17N.2C16H16.C10H8.C9H10.C2H6/c1-17-14-15-25-21(16-17)20-10-4-7-13-24(20)26(25)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-14-7-10-16(11-8-14)21-19-6-4-3-5-17(19)18-13-15(2)9-12-20(18)21;1-14-7-10-16(11-8-14)21-19-6-4-3-5-17(19)18-12-9-15(2)13-20(18)21;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-2-6-10-8-4-3-7-9(10)5-1;1-7-2-3-8-4-5-9(8)6-7;1-2/h2*2-16H,1H3;2*3-13H,1-2H3;2*4-10H,1-3H3;1-8H;2-3,6H,4-5H2,1H3;1-2H3
InChIKeySUCSUSBMBBNZGX-UHFFFAOYSA-N
XLogP38.04
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001896.62
LogP ≤ 538.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;2-methyl-9-(4-methylphenyl)carbazole;3-methyl-9-(4-methylphenyl)carbazole;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];naphthalene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene with MolForge

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Related Compounds

7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461
5'-[9-(4-methylphenyl)carbazol-3-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 167052788
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole
CID 162026936
CID 134551753
CID 134551753
2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(9-phenylcarbazol-2-yl)carbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole;2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(9-phenylcarbazol-2-yl)carbazole
CID 162139174
9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole
CID 86066589
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
9,11,11-trimethyl-5-phenylindeno[1,2-b]carbazole
CID 71250183
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 157226629
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6-methyl-9-phenylcarbazol-3-yl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 58384021
2-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;3-methyl-5,11-diphenylindolo[3,2-b]carbazole;2-methyl-9-(4-methylphenyl)-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];4'-methyl-9,9'-spirobi[fluorene]
CID 157438705
3-(9,9-dimethylfluoren-2-yl)-9-(3,5-diphenylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole;9-(3,5-diphenylphenyl)-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 158206724

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;2-methyl-9-(4-methylphenyl)carbazole;3-methyl-9-(4-methylphenyl)carbazole;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];naphthalene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene?
The IUPAC name of ethane;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;2-methyl-9-(4-methylphenyl)carbazole;3-methyl-9-(4-methylphenyl)carbazole;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];naphthalene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene (CID 160937920) is ethane;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;2-methyl-9-(4-methylphenyl)carbazole;3-methyl-9-(4-methylphenyl)carbazole;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];naphthalene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene.
What is the SMILES notation for ethane;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;2-methyl-9-(4-methylphenyl)carbazole;3-methyl-9-(4-methylphenyl)carbazole;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];naphthalene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene?
The canonical SMILES for ethane;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;2-methyl-9-(4-methylphenyl)carbazole;3-methyl-9-(4-methylphenyl)carbazole;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];naphthalene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene is CC.Cc1ccc(-n2c3ccccc3c3cc(C)ccc32)cc1.Cc1ccc(-n2c3ccccc3c3ccc(C)cc32)cc1.Cc1ccc2c(c1)-c1ccccc1C2(C)C.Cc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Cc1ccc2c(c1)CC2.c1ccc2ccccc2c1.
What is the InChIKey of ethane;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;2-methyl-9-(4-methylphenyl)carbazole;3-methyl-9-(4-methylphenyl)carbazole;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];naphthalene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene?
The InChIKey is SUCSUSBMBBNZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H18.2C20H17N.2C16H16.C10H8.C9H10.C2H6/c1-17-14-15-25-21(16-17)20-10-4-7-13-24(20)26(25)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-14-7-10-16(11-8-14)21-19-6-4-3-5-17(19)18-13-15(2)9-12-20(18)21;1-14-7-10-16(11-8-14)21-19-6-4-3-5-17(19)18-12-9-15(2)13-20(18)21;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-8-9-13-12-6-4-5-7-14(12)16(2,3)15(13)10-11;1-2-6-10-8-4-3-7-9(10)5-1;1-7-2-3-8-4-5-9(8)6-7;1-2/h2*2-16H,1H3;2*3-13H,1-2H3;2*4-10H,1-3H3;1-8H;2-3,6H,4-5H2,1H3;1-2H3.
What are the key properties of ethane;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;2-methyl-9-(4-methylphenyl)carbazole;3-methyl-9-(4-methylphenyl)carbazole;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];naphthalene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene?
ethane;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;2-methyl-9-(4-methylphenyl)carbazole;3-methyl-9-(4-methylphenyl)carbazole;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];naphthalene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene has a molecular weight of 1896.62 g/mol, XLogP of 38.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylbicyclo[4.2.0]octa-1(6),2,4-triene;2-methyl-9-(4-methylphenyl)carbazole;3-methyl-9-(4-methylphenyl)carbazole;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];naphthalene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene is sourced from PubChem (CID 160937920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).