9-[9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenyl-7-[2-phenyl-2-[4-(4-phenylphenyl)phenyl]ethyl]fluoren-4-yl]carbazole

C64H49N — CID 145302856

IUPAC9-[9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenyl-7-[2-phenyl-2-[4-(4-phenylphenyl)phenyl]ethyl]fluoren-4-yl]carbazole
SMILESCC1C=CC=C(C2(c3ccccc3)c3cc(CC(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)ccc3-c3c(-n4c5ccccc5c5ccccc54)cccc32)C1
InChIInChI=1S/C64H49N/c1-44-17-15-24-53(41-44)64(52-22-9-4-10-23-52)58-27-16-30-62(65-60-28-13-11-25-54(60)55-26-12-14-29-61(55)65)63(58)56-40-31-45(43-59(56)64)42-57(50-20-7-3-8-21-50)51-38-36-49(37-39-51)48-34-32-47(33-35-48)46-18-5-2-6-19-46/h2-40,43-44,57H,41-42H2,1H3
InChIKeyAXENUQSAGJPFBG-UHFFFAOYSA-N
MW832.10 g/mol
LogP16.33
Rot. Bonds9

About 9-[9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenyl-7-[2-phenyl-2-[4-(4-phenylphenyl)phenyl]ethyl]fluoren-4-yl]carbazole

9-[9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenyl-7-[2-phenyl-2-[4-(4-phenylphenyl)phenyl]ethyl]fluoren-4-yl]carbazole (PubChem CID 145302856) has the molecular formula C64H49N and a molecular weight of 832.10 g/mol. Its IUPAC name is 9-[9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenyl-7-[2-phenyl-2-[4-(4-phenylphenyl)phenyl]ethyl]fluoren-4-yl]carbazole.

Molecular Properties

Compound Name9-[9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenyl-7-[2-phenyl-2-[4-(4-phenylphenyl)phenyl]ethyl]fluoren-4-yl]carbazole
PubChem CID145302856
Molecular FormulaC64H49N
Molecular Weight832.10 g/mol
Exact Mass831.39
IUPAC Name9-[9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenyl-7-[2-phenyl-2-[4-(4-phenylphenyl)phenyl]ethyl]fluoren-4-yl]carbazole
SMILESCC1C=CC=C(C2(c3ccccc3)c3cc(CC(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)ccc3-c3c(-n4c5ccccc5c5ccccc54)cccc32)C1
InChIInChI=1S/C64H49N/c1-44-17-15-24-53(41-44)64(52-22-9-4-10-23-52)58-27-16-30-62(65-60-28-13-11-25-54(60)55-26-12-14-29-61(55)65)63(58)56-40-31-45(43-59(56)64)42-57(50-20-7-3-8-21-50)51-38-36-49(37-39-51)48-34-32-47(33-35-48)46-18-5-2-6-19-46/h2-40,43-44,57H,41-42H2,1H3
InChIKeyAXENUQSAGJPFBG-UHFFFAOYSA-N
XLogP16.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.10
LogP ≤ 516.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[9,9-diphenyl-7-[(Z)-3-phenyl-2-[4-(4-phenylphenyl)phenyl]prop-2-enyl]fluoren-4-yl]carbazole
CID 166895463
3-[4-[1,2-bis(4-phenylphenyl)ethyl]-9,9-diphenylfluoren-1-yl]-9-phenylcarbazole
CID 123808425
9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole
CID 129258967
3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 126538623
9-(9,9-diphenylfluoren-2-yl)-3-[3-[2-[1-phenyl-2-(4-phenylphenyl)ethyl]phenyl]phenyl]carbazole
CID 144639975
6-(5-methylcyclohexa-1,3-dien-1-yl)-6,20,20-triphenylnonacyclo[24.6.2.02,21.03,19.05,17.07,16.010,15.023,33.030,34]tetratriaconta-1(33),2(21),3(19),4,7(16),8,10,12,14,17,22,24,26(34),27,29,31-hexadecaene
CID 143932339
9-[7-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-phenylmethyl]-9,9-dimethylfluoren-4-yl]carbazole
CID 166895501
5-carbazol-9-yl-N-(2,4-diphenylcyclohexa-1,5-dien-1-yl)-9,9-bis(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 166895480
CID 158608032
CID 158608032
12-[4-[2-(9,9-diphenylfluoren-2-yl)-1-phenylethyl]phenyl]-15-phenyl-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
CID 144990338
13-[4-[4-[1,3-bis(4-phenylphenyl)propyl]phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 139341014
3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118349357

Frequently Asked Questions

What is the IUPAC name of 9-[9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenyl-7-[2-phenyl-2-[4-(4-phenylphenyl)phenyl]ethyl]fluoren-4-yl]carbazole?
The IUPAC name of 9-[9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenyl-7-[2-phenyl-2-[4-(4-phenylphenyl)phenyl]ethyl]fluoren-4-yl]carbazole (CID 145302856) is 9-[9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenyl-7-[2-phenyl-2-[4-(4-phenylphenyl)phenyl]ethyl]fluoren-4-yl]carbazole.
What is the SMILES notation for 9-[9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenyl-7-[2-phenyl-2-[4-(4-phenylphenyl)phenyl]ethyl]fluoren-4-yl]carbazole?
The canonical SMILES for 9-[9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenyl-7-[2-phenyl-2-[4-(4-phenylphenyl)phenyl]ethyl]fluoren-4-yl]carbazole is CC1C=CC=C(C2(c3ccccc3)c3cc(CC(c4ccccc4)c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)ccc3-c3c(-n4c5ccccc5c5ccccc54)cccc32)C1.
What is the InChIKey of 9-[9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenyl-7-[2-phenyl-2-[4-(4-phenylphenyl)phenyl]ethyl]fluoren-4-yl]carbazole?
The InChIKey is AXENUQSAGJPFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H49N/c1-44-17-15-24-53(41-44)64(52-22-9-4-10-23-52)58-27-16-30-62(65-60-28-13-11-25-54(60)55-26-12-14-29-61(55)65)63(58)56-40-31-45(43-59(56)64)42-57(50-20-7-3-8-21-50)51-38-36-49(37-39-51)48-34-32-47(33-35-48)46-18-5-2-6-19-46/h2-40,43-44,57H,41-42H2,1H3.
What are the key properties of 9-[9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenyl-7-[2-phenyl-2-[4-(4-phenylphenyl)phenyl]ethyl]fluoren-4-yl]carbazole?
9-[9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenyl-7-[2-phenyl-2-[4-(4-phenylphenyl)phenyl]ethyl]fluoren-4-yl]carbazole has a molecular weight of 832.10 g/mol, XLogP of 16.33, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenyl-7-[2-phenyl-2-[4-(4-phenylphenyl)phenyl]ethyl]fluoren-4-yl]carbazole is sourced from PubChem (CID 145302856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).