9-[6-methyl-4-(3-methyl-9,9-diphenyl-2,3,4,4a,5,6-hexahydrofluoren-2-yl)-5,6-dihydronaphthalen-1-yl]carbazole

C49H43N — CID 129305644

IUPAC9-[6-methyl-4-(3-methyl-9,9-diphenyl-2,3,4,4a,5,6-hexahydrofluoren-2-yl)-5,6-dihydronaphthalen-1-yl]carbazole
SMILESCC1C=Cc2c(-n3c4ccccc4c4ccccc43)ccc(C3C=C4C(CC3C)C3=C(C=CCC3)C4(c3ccccc3)c3ccccc3)c2C1
InChIInChI=1S/C49H43N/c1-32-25-26-40-42(29-32)36(27-28-48(40)50-46-23-13-10-20-38(46)39-21-11-14-24-47(39)50)41-31-45-43(30-33(41)2)37-19-9-12-22-44(37)49(45,34-15-5-3-6-16-34)35-17-7-4-8-18-35/h3-8,10-18,20-28,31-33,41,43H,9,19,29-30H2,1-2H3
InChIKeyKNMXCUFIWPEILA-UHFFFAOYSA-N
MW645.89 g/mol
LogP12.30
Rot. Bonds4

About 9-[6-methyl-4-(3-methyl-9,9-diphenyl-2,3,4,4a,5,6-hexahydrofluoren-2-yl)-5,6-dihydronaphthalen-1-yl]carbazole

9-[6-methyl-4-(3-methyl-9,9-diphenyl-2,3,4,4a,5,6-hexahydrofluoren-2-yl)-5,6-dihydronaphthalen-1-yl]carbazole (PubChem CID 129305644) has the molecular formula C49H43N and a molecular weight of 645.89 g/mol. Its IUPAC name is 9-[6-methyl-4-(3-methyl-9,9-diphenyl-2,3,4,4a,5,6-hexahydrofluoren-2-yl)-5,6-dihydronaphthalen-1-yl]carbazole.

Molecular Properties

Compound Name9-[6-methyl-4-(3-methyl-9,9-diphenyl-2,3,4,4a,5,6-hexahydrofluoren-2-yl)-5,6-dihydronaphthalen-1-yl]carbazole
PubChem CID129305644
Molecular FormulaC49H43N
Molecular Weight645.89 g/mol
Exact Mass645.34
IUPAC Name9-[6-methyl-4-(3-methyl-9,9-diphenyl-2,3,4,4a,5,6-hexahydrofluoren-2-yl)-5,6-dihydronaphthalen-1-yl]carbazole
SMILESCC1C=Cc2c(-n3c4ccccc4c4ccccc43)ccc(C3C=C4C(CC3C)C3=C(C=CCC3)C4(c3ccccc3)c3ccccc3)c2C1
InChIInChI=1S/C49H43N/c1-32-25-26-40-42(29-32)36(27-28-48(40)50-46-23-13-10-20-38(46)39-21-11-14-24-47(39)50)41-31-45-43(30-33(41)2)37-19-9-12-22-44(37)49(45,34-15-5-3-6-16-34)35-17-7-4-8-18-35/h3-8,10-18,20-28,31-33,41,43H,9,19,29-30H2,1-2H3
InChIKeyKNMXCUFIWPEILA-UHFFFAOYSA-N
XLogP12.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.89
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[5-(4-carbazol-9-yl-7,8-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-1-yl]phenyl]-6-methyl-5,6-dihydrophenanthro[9,10-b]pyrazine
CID 129075896
9-[2-[2-[2-[2-(3-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]phenyl]carbazole
CID 167285063
9-[3-(1,2-dihydrocarbazol-9-yl)-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-2-methyl-1,2-dihydrocarbazole
CID 146321185
2-methyl-1,2-dihydrotriphenylene
CID 145204096
9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 144740109
3-[8-(2-methyl-1,2,7,8-tetrahydrocarbazol-9-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
CID 163785527
9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole
CID 138548370
9-(2-methylphenyl)-4-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)cyclohexa-1,5-dien-1-yl]carbazole
CID 146185724
9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole
CID 145291042
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
5-[3-carbazol-9-yl-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-12-[3-(12-phenyl-7a,12a-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]-10,11-dihydroindolo[3,2-c]carbazole
CID 163433425
N-(4-carbazol-9-ylphenyl)-3-methyl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-1'-amine
CID 144995205

Frequently Asked Questions

What is the IUPAC name of 9-[6-methyl-4-(3-methyl-9,9-diphenyl-2,3,4,4a,5,6-hexahydrofluoren-2-yl)-5,6-dihydronaphthalen-1-yl]carbazole?
The IUPAC name of 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) is 9-[6-methyl-4-(3-methyl-9,9-diphenyl-2,3,4,4a,5,6-hexahydrofluoren-2-yl)-5,6-dihydronaphthalen-1-yl]carbazole.
What is the SMILES notation for 9-[6-methyl-4-(3-methyl-9,9-diphenyl-2,3,4,4a,5,6-hexahydrofluoren-2-yl)-5,6-dihydronaphthalen-1-yl]carbazole?
The canonical SMILES for 9-[6-methyl-4-(3-methyl-9,9-diphenyl-2,3,4,4a,5,6-hexahydrofluoren-2-yl)-5,6-dihydronaphthalen-1-yl]carbazole is CC1C=Cc2c(-n3c4ccccc4c4ccccc43)ccc(C3C=C4C(CC3C)C3=C(C=CCC3)C4(c3ccccc3)c3ccccc3)c2C1.
What is the InChIKey of 9-[6-methyl-4-(3-methyl-9,9-diphenyl-2,3,4,4a,5,6-hexahydrofluoren-2-yl)-5,6-dihydronaphthalen-1-yl]carbazole?
The InChIKey is KNMXCUFIWPEILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H43N/c1-32-25-26-40-42(29-32)36(27-28-48(40)50-46-23-13-10-20-38(46)39-21-11-14-24-47(39)50)41-31-45-43(30-33(41)2)37-19-9-12-22-44(37)49(45,34-15-5-3-6-16-34)35-17-7-4-8-18-35/h3-8,10-18,20-28,31-33,41,43H,9,19,29-30H2,1-2H3.
What are the key properties of 9-[6-methyl-4-(3-methyl-9,9-diphenyl-2,3,4,4a,5,6-hexahydrofluoren-2-yl)-5,6-dihydronaphthalen-1-yl]carbazole?
9-[6-methyl-4-(3-methyl-9,9-diphenyl-2,3,4,4a,5,6-hexahydrofluoren-2-yl)-5,6-dihydronaphthalen-1-yl]carbazole has a molecular weight of 645.89 g/mol, XLogP of 12.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-methyl-4-(3-methyl-9,9-diphenyl-2,3,4,4a,5,6-hexahydrofluoren-2-yl)-5,6-dihydronaphthalen-1-yl]carbazole is sourced from PubChem (CID 129305644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).