4-(9-cyclohexa-1,5-dien-1-yl-2-methyl-1,2,5,6-tetrahydrofluoren-9-yl)-9-[(1E,3E)-5-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dienyl]carbazole

C50H47N — CID 129095619

IUPAC4-(9-cyclohexa-1,5-dien-1-yl-2-methyl-1,2,5,6-tetrahydrofluoren-9-yl)-9-[(1E,3E)-5-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dienyl]carbazole
SMILESCC1C=C(C/C=C(\C=C\n2c3ccccc3c3c(C4(C5=CCCC=C5)C5=C(CCC=C5)C5=C4CC(C)C=C5)cccc32)c2ccccc2)C=CC1
InChIInChI=1S/C50H47N/c1-35-15-13-16-37(33-35)28-29-39(38-17-5-3-6-18-38)31-32-51-47-25-12-10-22-43(47)49-45(24-14-26-48(49)51)50(40-19-7-4-8-20-40)44-23-11-9-21-41(44)42-30-27-36(2)34-46(42)50/h3,5-7,10-14,16-20,22-27,29-33,35-36H,4,8-9,15,21,28,34H2,1-2H3/b32-31+,39-29+
InChIKeyJGDYMGQXMAGZCR-XKAYJZKYSA-N
MW661.93 g/mol
LogP13.33
Rot. Bonds7

About 4-(9-cyclohexa-1,5-dien-1-yl-2-methyl-1,2,5,6-tetrahydrofluoren-9-yl)-9-[(1E,3E)-5-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dienyl]carbazole

4-(9-cyclohexa-1,5-dien-1-yl-2-methyl-1,2,5,6-tetrahydrofluoren-9-yl)-9-[(1E,3E)-5-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dienyl]carbazole (PubChem CID 129095619) has the molecular formula C50H47N and a molecular weight of 661.93 g/mol. Its IUPAC name is 4-(9-cyclohexa-1,5-dien-1-yl-2-methyl-1,2,5,6-tetrahydrofluoren-9-yl)-9-[(1E,3E)-5-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dienyl]carbazole.

Molecular Properties

Compound Name4-(9-cyclohexa-1,5-dien-1-yl-2-methyl-1,2,5,6-tetrahydrofluoren-9-yl)-9-[(1E,3E)-5-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dienyl]carbazole
PubChem CID129095619
Molecular FormulaC50H47N
Molecular Weight661.93 g/mol
Exact Mass661.37
IUPAC Name4-(9-cyclohexa-1,5-dien-1-yl-2-methyl-1,2,5,6-tetrahydrofluoren-9-yl)-9-[(1E,3E)-5-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dienyl]carbazole
SMILESCC1C=C(C/C=C(\C=C\n2c3ccccc3c3c(C4(C5=CCCC=C5)C5=C(CCC=C5)C5=C4CC(C)C=C5)cccc32)c2ccccc2)C=CC1
InChIInChI=1S/C50H47N/c1-35-15-13-16-37(33-35)28-29-39(38-17-5-3-6-18-38)31-32-51-47-25-12-10-22-43(47)49-45(24-14-26-48(49)51)50(40-19-7-4-8-20-40)44-23-11-9-21-41(44)42-30-27-36(2)34-46(42)50/h3,5-7,10-14,16-20,22-27,29-33,35-36H,4,8-9,15,21,28,34H2,1-2H3/b32-31+,39-29+
InChIKeyJGDYMGQXMAGZCR-XKAYJZKYSA-N
XLogP13.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.93
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

9-cyclohexa-1,3-dien-1-yl-2-methyl-9-phenyl-1,2-dihydrofluorene
CID 142567565
(1Z,3E)-5-cyclohexa-1,5-dien-1-yl-1-phenyl-3-[4-[3-(9,9'-spirobi[fluorene]-3-yl)carbazol-9-yl]phenyl]penta-1,3-dien-1-amine;ethane;toluene
CID 145341014
N-[(2S)-2-methyl-1-(17-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),18-octaen-9-yl)-2-phenylbutyl]aniline
CID 118449554
9-[6-methyl-4-(3-methyl-9,9-diphenyl-2,3,4,4a,5,6-hexahydrofluoren-2-yl)-5,6-dihydronaphthalen-1-yl]carbazole
CID 129305644
(1Z,3E)-5-cyclohexa-1,5-dien-1-yl-3-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-1-phenylpenta-1,3-dien-1-amine
CID 145452629
12-cyclohexa-1,5-dien-1-yl-5-(3,5-diphenylphenyl)-12-phenylindeno[1,2-c]carbazole
CID 123468895
N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 170099431
(2E,4E)-1-[4-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)cyclohexa-2,4-dien-1-yl]-5-(7,8-dihydrophenanthren-9-yl)-3-phenylpenta-2,4-dien-1-amine
CID 166702498
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 145077283
ethane;9-[4-methyl-5-(2-methylphenyl)cyclohexa-1,5-dien-1-yl]-N-[3-methyl-2-(2-methylphenyl)phenyl]-N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-4-ylcarbazol-2-amine;toluene
CID 145345856
N-[4-(9-phenyl-3,4-dihydrofluoren-9-yl)phenyl]-4,4a-dihydronaphthalen-1-amine
CID 166924257
9,9-dimethyl-N-[4-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 144990424

Frequently Asked Questions

What is the IUPAC name of 4-(9-cyclohexa-1,5-dien-1-yl-2-methyl-1,2,5,6-tetrahydrofluoren-9-yl)-9-[(1E,3E)-5-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dienyl]carbazole?
The IUPAC name of 4-(9-cyclohexa-1,5-dien-1-yl-2-methyl-1,2,5,6-tetrahydrofluoren-9-yl)-9-[(1E,3E)-5-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dienyl]carbazole (CID 129095619) is 4-(9-cyclohexa-1,5-dien-1-yl-2-methyl-1,2,5,6-tetrahydrofluoren-9-yl)-9-[(1E,3E)-5-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dienyl]carbazole.
What is the SMILES notation for 4-(9-cyclohexa-1,5-dien-1-yl-2-methyl-1,2,5,6-tetrahydrofluoren-9-yl)-9-[(1E,3E)-5-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dienyl]carbazole?
The canonical SMILES for 4-(9-cyclohexa-1,5-dien-1-yl-2-methyl-1,2,5,6-tetrahydrofluoren-9-yl)-9-[(1E,3E)-5-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dienyl]carbazole is CC1C=C(C/C=C(\C=C\n2c3ccccc3c3c(C4(C5=CCCC=C5)C5=C(CCC=C5)C5=C4CC(C)C=C5)cccc32)c2ccccc2)C=CC1.
What is the InChIKey of 4-(9-cyclohexa-1,5-dien-1-yl-2-methyl-1,2,5,6-tetrahydrofluoren-9-yl)-9-[(1E,3E)-5-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dienyl]carbazole?
The InChIKey is JGDYMGQXMAGZCR-XKAYJZKYSA-N. The full InChI is InChI=1S/C50H47N/c1-35-15-13-16-37(33-35)28-29-39(38-17-5-3-6-18-38)31-32-51-47-25-12-10-22-43(47)49-45(24-14-26-48(49)51)50(40-19-7-4-8-20-40)44-23-11-9-21-41(44)42-30-27-36(2)34-46(42)50/h3,5-7,10-14,16-20,22-27,29-33,35-36H,4,8-9,15,21,28,34H2,1-2H3/b32-31+,39-29+.
What are the key properties of 4-(9-cyclohexa-1,5-dien-1-yl-2-methyl-1,2,5,6-tetrahydrofluoren-9-yl)-9-[(1E,3E)-5-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dienyl]carbazole?
4-(9-cyclohexa-1,5-dien-1-yl-2-methyl-1,2,5,6-tetrahydrofluoren-9-yl)-9-[(1E,3E)-5-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dienyl]carbazole has a molecular weight of 661.93 g/mol, XLogP of 13.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-cyclohexa-1,5-dien-1-yl-2-methyl-1,2,5,6-tetrahydrofluoren-9-yl)-9-[(1E,3E)-5-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dienyl]carbazole is sourced from PubChem (CID 129095619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).