1-methyl-9H-carbazole;2-methyl-9H-carbazole;bis(3-methyl-9H-carbazole);4-methyl-9H-carbazole;2-methyl-9H-fluorene

C79H67N5 — CID 157378116

IUPAC1-methyl-9H-carbazole;2-methyl-9H-carbazole;bis(3-methyl-9H-carbazole);4-methyl-9H-carbazole;2-methyl-9H-fluorene
SMILESCc1ccc2[nH]c3ccccc3c2c1.Cc1ccc2[nH]c3ccccc3c2c1.Cc1ccc2c(c1)Cc1ccccc1-2.Cc1ccc2c(c1)[nH]c1ccccc12.Cc1cccc2[nH]c3ccccc3c12.Cc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C14H12.5C13H11N/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12;2*1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-8H,9H2,1H3;5*2-8,14H,1H3
InChIKeyBKNZYGHMKYCNKR-UHFFFAOYSA-N
MW1086.44 g/mol
LogP21.71
Rot. Bonds

About 1-methyl-9H-carbazole;2-methyl-9H-carbazole;bis(3-methyl-9H-carbazole);4-methyl-9H-carbazole;2-methyl-9H-fluorene

1-methyl-9H-carbazole;2-methyl-9H-carbazole;bis(3-methyl-9H-carbazole);4-methyl-9H-carbazole;2-methyl-9H-fluorene (PubChem CID 157378116) has the molecular formula C79H67N5 and a molecular weight of 1086.44 g/mol. Its IUPAC name is 1-methyl-9H-carbazole;2-methyl-9H-carbazole;bis(3-methyl-9H-carbazole);4-methyl-9H-carbazole;2-methyl-9H-fluorene.

Molecular Properties

Compound Name1-methyl-9H-carbazole;2-methyl-9H-carbazole;bis(3-methyl-9H-carbazole);4-methyl-9H-carbazole;2-methyl-9H-fluorene
PubChem CID157378116
Molecular FormulaC79H67N5
Molecular Weight1086.44 g/mol
Exact Mass1085.54
IUPAC Name1-methyl-9H-carbazole;2-methyl-9H-carbazole;bis(3-methyl-9H-carbazole);4-methyl-9H-carbazole;2-methyl-9H-fluorene
SMILESCc1ccc2[nH]c3ccccc3c2c1.Cc1ccc2[nH]c3ccccc3c2c1.Cc1ccc2c(c1)Cc1ccccc1-2.Cc1ccc2c(c1)[nH]c1ccccc12.Cc1cccc2[nH]c3ccccc3c12.Cc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C14H12.5C13H11N/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12;2*1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-8H,9H2,1H3;5*2-8,14H,1H3
InChIKeyBKNZYGHMKYCNKR-UHFFFAOYSA-N
XLogP21.71
TPSA78.95 Ų
H-Bond Donors5
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001086.44
LogP ≤ 521.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-5,11-dihydroindeno[1,2-b]carbazole
CID 146579673
3,5-dimethyl-9H-carbazole
CID 606967
9H-carbazole;bis(9H-fluorene)
CID 158703465
9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane
CID 145125960
7,12-dihydroindeno[1,2-a]carbazole
CID 58472013
2-(9H-fluoren-1-yl)-9H-carbazol-1-amine
CID 172636197
8,9-dimethyl-5,7-dihydroindeno[2,1-b]carbazole
CID 67534501
2-(7H-benzo[c]fluoren-2-yl)-7H-benzo[c]carbazole
CID 158124892
12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 118488485
2-(5,8-dimethyl-9H-carbazol-2-yl)-1,5-dimethyl-9H-carbazole
CID 135195660
18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene
CID 143650268
2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9H-carbazole;2-methyl-9H-carbazole;bis(3-methyl-9H-carbazole);4-methyl-9H-carbazole;2-methyl-9H-fluorene?
The IUPAC name of 1-methyl-9H-carbazole;2-methyl-9H-carbazole;bis(3-methyl-9H-carbazole);4-methyl-9H-carbazole;2-methyl-9H-fluorene (CID 157378116) is 1-methyl-9H-carbazole;2-methyl-9H-carbazole;bis(3-methyl-9H-carbazole);4-methyl-9H-carbazole;2-methyl-9H-fluorene.
What is the SMILES notation for 1-methyl-9H-carbazole;2-methyl-9H-carbazole;bis(3-methyl-9H-carbazole);4-methyl-9H-carbazole;2-methyl-9H-fluorene?
The canonical SMILES for 1-methyl-9H-carbazole;2-methyl-9H-carbazole;bis(3-methyl-9H-carbazole);4-methyl-9H-carbazole;2-methyl-9H-fluorene is Cc1ccc2[nH]c3ccccc3c2c1.Cc1ccc2[nH]c3ccccc3c2c1.Cc1ccc2c(c1)Cc1ccccc1-2.Cc1ccc2c(c1)[nH]c1ccccc12.Cc1cccc2[nH]c3ccccc3c12.Cc1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-methyl-9H-carbazole;2-methyl-9H-carbazole;bis(3-methyl-9H-carbazole);4-methyl-9H-carbazole;2-methyl-9H-fluorene?
The InChIKey is BKNZYGHMKYCNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.5C13H11N/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;1-9-5-4-7-11-10-6-2-3-8-12(10)14-13(9)11;1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12;2*1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-8H,9H2,1H3;5*2-8,14H,1H3.
What are the key properties of 1-methyl-9H-carbazole;2-methyl-9H-carbazole;bis(3-methyl-9H-carbazole);4-methyl-9H-carbazole;2-methyl-9H-fluorene?
1-methyl-9H-carbazole;2-methyl-9H-carbazole;bis(3-methyl-9H-carbazole);4-methyl-9H-carbazole;2-methyl-9H-fluorene has a molecular weight of 1086.44 g/mol, XLogP of 21.71, 0 rotatable bonds, 5 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9H-carbazole;2-methyl-9H-carbazole;bis(3-methyl-9H-carbazole);4-methyl-9H-carbazole;2-methyl-9H-fluorene is sourced from PubChem (CID 157378116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).