9-[4-[10-(2-ethyl-4-ethylidene-6-methylspiro[cyclohexane-1,9'-fluorene]-4'-yl)anthracen-9-yl]phenyl]carbazole

C55H45N — CID 167165126

IUPAC9-[4-[10-(2-ethyl-4-ethylidene-6-methylspiro[cyclohexane-1,9'-fluorene]-4'-yl)anthracen-9-yl]phenyl]carbazole
SMILESCC=C1CC(C)C2(c3ccccc3-c3c(-c4c5ccccc5c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccccc45)cccc32)C(CC)C1
InChIInChI=1S/C55H45N/c1-4-36-33-35(3)55(38(5-2)34-36)48-25-13-10-23-46(48)54-47(24-16-26-49(54)55)53-44-21-8-6-19-42(44)52(43-20-7-9-22-45(43)53)37-29-31-39(32-30-37)56-50-27-14-11-17-40(50)41-18-12-15-28-51(41)56/h4,6-32,35,38H,5,33-34H2,1-3H3
InChIKeyRHSJODZRZLGRGY-UHFFFAOYSA-N
MW719.97 g/mol
LogP15.09
Rot. Bonds4

About 9-[4-[10-(2-ethyl-4-ethylidene-6-methylspiro[cyclohexane-1,9'-fluorene]-4'-yl)anthracen-9-yl]phenyl]carbazole

9-[4-[10-(2-ethyl-4-ethylidene-6-methylspiro[cyclohexane-1,9'-fluorene]-4'-yl)anthracen-9-yl]phenyl]carbazole (PubChem CID 167165126) has the molecular formula C55H45N and a molecular weight of 719.97 g/mol. Its IUPAC name is 9-[4-[10-(2-ethyl-4-ethylidene-6-methylspiro[cyclohexane-1,9'-fluorene]-4'-yl)anthracen-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[10-(2-ethyl-4-ethylidene-6-methylspiro[cyclohexane-1,9'-fluorene]-4'-yl)anthracen-9-yl]phenyl]carbazole
PubChem CID167165126
Molecular FormulaC55H45N
Molecular Weight719.97 g/mol
Exact Mass719.36
IUPAC Name9-[4-[10-(2-ethyl-4-ethylidene-6-methylspiro[cyclohexane-1,9'-fluorene]-4'-yl)anthracen-9-yl]phenyl]carbazole
SMILESCC=C1CC(C)C2(c3ccccc3-c3c(-c4c5ccccc5c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccccc45)cccc32)C(CC)C1
InChIInChI=1S/C55H45N/c1-4-36-33-35(3)55(38(5-2)34-36)48-25-13-10-23-46(48)54-47(24-16-26-49(54)55)53-44-21-8-6-19-42(44)52(43-20-7-9-22-45(43)53)37-29-31-39(32-30-37)56-50-27-14-11-17-40(50)41-18-12-15-28-51(41)56/h4,6-32,35,38H,5,33-34H2,1-3H3
InChIKeyRHSJODZRZLGRGY-UHFFFAOYSA-N
XLogP15.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.97
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-[10-(3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-yl)anthracen-9-yl]-9-phenylcarbazole
CID 167165210
9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole
CID 164819192
20-[4-(9,9-dimethylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580551
9-[4-[10-[10-(4-carbazol-9-ylphenyl)anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
CID 58971557
9-[6-carbazol-9-yl-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]carbazole
CID 59219726
9-[4-[10-(2-fluorophenyl)anthracen-9-yl]phenyl]carbazole
CID 58163334
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
CID 164810227
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
3-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 157065974
20-[4-(9,9-diphenylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580544
3-(8,8-dimethyl-14-phenyl-5-pentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl)-9-phenylcarbazole
CID 130264649
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636

Frequently Asked Questions

What is the IUPAC name of 9-[4-[10-(2-ethyl-4-ethylidene-6-methylspiro[cyclohexane-1,9'-fluorene]-4'-yl)anthracen-9-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[10-(2-ethyl-4-ethylidene-6-methylspiro[cyclohexane-1,9'-fluorene]-4'-yl)anthracen-9-yl]phenyl]carbazole (CID 167165126) is 9-[4-[10-(2-ethyl-4-ethylidene-6-methylspiro[cyclohexane-1,9'-fluorene]-4'-yl)anthracen-9-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[10-(2-ethyl-4-ethylidene-6-methylspiro[cyclohexane-1,9'-fluorene]-4'-yl)anthracen-9-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[10-(2-ethyl-4-ethylidene-6-methylspiro[cyclohexane-1,9'-fluorene]-4'-yl)anthracen-9-yl]phenyl]carbazole is CC=C1CC(C)C2(c3ccccc3-c3c(-c4c5ccccc5c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccccc45)cccc32)C(CC)C1.
What is the InChIKey of 9-[4-[10-(2-ethyl-4-ethylidene-6-methylspiro[cyclohexane-1,9'-fluorene]-4'-yl)anthracen-9-yl]phenyl]carbazole?
The InChIKey is RHSJODZRZLGRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H45N/c1-4-36-33-35(3)55(38(5-2)34-36)48-25-13-10-23-46(48)54-47(24-16-26-49(54)55)53-44-21-8-6-19-42(44)52(43-20-7-9-22-45(43)53)37-29-31-39(32-30-37)56-50-27-14-11-17-40(50)41-18-12-15-28-51(41)56/h4,6-32,35,38H,5,33-34H2,1-3H3.
What are the key properties of 9-[4-[10-(2-ethyl-4-ethylidene-6-methylspiro[cyclohexane-1,9'-fluorene]-4'-yl)anthracen-9-yl]phenyl]carbazole?
9-[4-[10-(2-ethyl-4-ethylidene-6-methylspiro[cyclohexane-1,9'-fluorene]-4'-yl)anthracen-9-yl]phenyl]carbazole has a molecular weight of 719.97 g/mol, XLogP of 15.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[10-(2-ethyl-4-ethylidene-6-methylspiro[cyclohexane-1,9'-fluorene]-4'-yl)anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 167165126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).