(4-methylcyclohexa-1,3-dien-1-yl)benzene;2-methyl-9-phenylcarbazole;3,9,9-trimethyl-4a,9a-dihydrofluorene

C48H47N — CID 144810412

IUPAC(4-methylcyclohexa-1,3-dien-1-yl)benzene;2-methyl-9-phenylcarbazole;3,9,9-trimethyl-4a,9a-dihydrofluorene
SMILESCC1=CC2c3ccccc3C(C)(C)C2C=C1.CC1=CC=C(c2ccccc2)CC1.Cc1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C19H15N.C16H18.C13H14/c1-14-11-12-17-16-9-5-6-10-18(16)20(19(17)13-14)15-7-3-2-4-8-15;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-13H,1H3;4-10,13,15H,1-3H3;2-7,9H,8,10H2,1H3
InChIKeyNGRLHRKMYGWPQE-UHFFFAOYSA-N
MW637.91 g/mol
LogP13.10
Rot. Bonds2

About (4-methylcyclohexa-1,3-dien-1-yl)benzene;2-methyl-9-phenylcarbazole;3,9,9-trimethyl-4a,9a-dihydrofluorene

(4-methylcyclohexa-1,3-dien-1-yl)benzene;2-methyl-9-phenylcarbazole;3,9,9-trimethyl-4a,9a-dihydrofluorene (PubChem CID 144810412) has the molecular formula C48H47N and a molecular weight of 637.91 g/mol. Its IUPAC name is (4-methylcyclohexa-1,3-dien-1-yl)benzene;2-methyl-9-phenylcarbazole;3,9,9-trimethyl-4a,9a-dihydrofluorene.

Molecular Properties

Compound Name(4-methylcyclohexa-1,3-dien-1-yl)benzene;2-methyl-9-phenylcarbazole;3,9,9-trimethyl-4a,9a-dihydrofluorene
PubChem CID144810412
Molecular FormulaC48H47N
Molecular Weight637.91 g/mol
Exact Mass637.37
IUPAC Name(4-methylcyclohexa-1,3-dien-1-yl)benzene;2-methyl-9-phenylcarbazole;3,9,9-trimethyl-4a,9a-dihydrofluorene
SMILESCC1=CC2c3ccccc3C(C)(C)C2C=C1.CC1=CC=C(c2ccccc2)CC1.Cc1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C19H15N.C16H18.C13H14/c1-14-11-12-17-16-9-5-6-10-18(16)20(19(17)13-14)15-7-3-2-4-8-15;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-13H,1H3;4-10,13,15H,1-3H3;2-7,9H,8,10H2,1H3
InChIKeyNGRLHRKMYGWPQE-UHFFFAOYSA-N
XLogP13.10
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.91
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]carbazole
CID 118534055
2-methyl-9-phenylcarbazole
CID 59552741
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303
N-[2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-3-yl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]phenyl]-9,9-dimethyl-N-phenyl-3,4-dihydrofluoren-3-amine
CID 146568626
9-methylcarbazole;3-methyl-6,9-diphenylcarbazole;9-methyl-3,6-diphenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3,6,9-trimethylcarbazole
CID 159340323
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
9-(9,9-diphenyl-7,8-dihydrofluoren-3-yl)-2-(3-methylphenyl)carbazole;ethane;(4-methylcyclohexa-1,3-dien-1-yl)benzene;2-methyl-9,9'-spirobi[fluorene]
CID 144911495
4-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 70917255
22-(3,5-diphenylphenyl)-12,12-dimethyl-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),3,5,7,9,14,16,18,20,23-decaene
CID 122464812
9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-ylphenyl)carbazole;3,6-dimethyl-9-phenylcarbazole;ethane;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159290394
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-3,6-dimethylcarbazole;2-methyl-9-[3-(2-methylcarbazol-9-yl)phenyl]carbazole;3-methyl-9-[3-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 160993744
5-[11-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)benzo[a]carbazol-8-yl]-1-N,1-N,3-N-triphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 145204311

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexa-1,3-dien-1-yl)benzene;2-methyl-9-phenylcarbazole;3,9,9-trimethyl-4a,9a-dihydrofluorene?
The IUPAC name of (4-methylcyclohexa-1,3-dien-1-yl)benzene;2-methyl-9-phenylcarbazole;3,9,9-trimethyl-4a,9a-dihydrofluorene (CID 144810412) is (4-methylcyclohexa-1,3-dien-1-yl)benzene;2-methyl-9-phenylcarbazole;3,9,9-trimethyl-4a,9a-dihydrofluorene.
What is the SMILES notation for (4-methylcyclohexa-1,3-dien-1-yl)benzene;2-methyl-9-phenylcarbazole;3,9,9-trimethyl-4a,9a-dihydrofluorene?
The canonical SMILES for (4-methylcyclohexa-1,3-dien-1-yl)benzene;2-methyl-9-phenylcarbazole;3,9,9-trimethyl-4a,9a-dihydrofluorene is CC1=CC2c3ccccc3C(C)(C)C2C=C1.CC1=CC=C(c2ccccc2)CC1.Cc1ccc2c3ccccc3n(-c3ccccc3)c2c1.
What is the InChIKey of (4-methylcyclohexa-1,3-dien-1-yl)benzene;2-methyl-9-phenylcarbazole;3,9,9-trimethyl-4a,9a-dihydrofluorene?
The InChIKey is NGRLHRKMYGWPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N.C16H18.C13H14/c1-14-11-12-17-16-9-5-6-10-18(16)20(19(17)13-14)15-7-3-2-4-8-15;1-11-8-9-15-13(10-11)12-6-4-5-7-14(12)16(15,2)3;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-13H,1H3;4-10,13,15H,1-3H3;2-7,9H,8,10H2,1H3.
What are the key properties of (4-methylcyclohexa-1,3-dien-1-yl)benzene;2-methyl-9-phenylcarbazole;3,9,9-trimethyl-4a,9a-dihydrofluorene?
(4-methylcyclohexa-1,3-dien-1-yl)benzene;2-methyl-9-phenylcarbazole;3,9,9-trimethyl-4a,9a-dihydrofluorene has a molecular weight of 637.91 g/mol, XLogP of 13.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexa-1,3-dien-1-yl)benzene;2-methyl-9-phenylcarbazole;3,9,9-trimethyl-4a,9a-dihydrofluorene is sourced from PubChem (CID 144810412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).