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]

C87H77N — CID 144911495

IUPAC9-(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]
SMILESCC.CC.CC1=CC=C(c2ccccc2)CC1.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Cc1cccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)C4=C(CCC=C4)C5(c4ccccc4)c4ccccc4)c3c2)c1
InChIInChI=1S/C44H33N.C26H18.C13H14.2C2H6/c1-30-13-12-14-31(27-30)32-23-25-38-37-20-9-11-22-42(37)45(43(38)28-32)35-24-26-41-39(29-35)36-19-8-10-21-40(36)44(41,33-15-4-2-5-16-33)34-17-6-3-7-18-34;1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;2*1-2/h2-9,11-20,22-29H,10,21H2,1H3;2-16H,1H3;2-7,9H,8,10H2,1H3;2*1-2H3
InChIKeyHNKRBYUCMKZQAM-UHFFFAOYSA-N
MW1136.58 g/mol
LogP23.41
Rot. Bonds5

About 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]

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] (PubChem CID 144911495) has the molecular formula C87H77N and a molecular weight of 1136.58 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name9-(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]
PubChem CID144911495
Molecular FormulaC87H77N
Molecular Weight1136.58 g/mol
Exact Mass1135.61
IUPAC Name9-(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]
SMILESCC.CC.CC1=CC=C(c2ccccc2)CC1.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Cc1cccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)C4=C(CCC=C4)C5(c4ccccc4)c4ccccc4)c3c2)c1
InChIInChI=1S/C44H33N.C26H18.C13H14.2C2H6/c1-30-13-12-14-31(27-30)32-23-25-38-37-20-9-11-22-42(37)45(43(38)28-32)35-24-26-41-39(29-35)36-19-8-10-21-40(36)44(41,33-15-4-2-5-16-33)34-17-6-3-7-18-34;1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;2*1-2/h2-9,11-20,22-29H,10,21H2,1H3;2-16H,1H3;2-7,9H,8,10H2,1H3;2*1-2H3
InChIKeyHNKRBYUCMKZQAM-UHFFFAOYSA-N
XLogP23.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001136.58
LogP ≤ 523.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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] with MolForge

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Related Compounds

9-(9,9-diphenylfluoren-2-yl)-2-[3-(3-methylphenyl)phenyl]carbazole
CID 90215950
9-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-[3-(3-methylphenyl)phenyl]carbazole
CID 90216056
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
9-[4-[3-[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]quinoxalin-2-yl]phenyl]-3-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-6-(9,9-diphenylfluoren-2-yl)carbazole
CID 88956505
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-[4-(4-methylphenyl)phenyl]carbazole
CID 162026936
1-methyl-4-phenylbenzene;2-methyl-9,9'-spirobi[fluorene];6,9,9-trimethyl-1,2-dihydrofluorene
CID 178165621
2-[3-(4-bromophenyl)phenyl]-9-(9,9-diphenylfluoren-2-yl)carbazole
CID 90216005
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-(4-methylphenyl)fluorene
CID 145328119
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 140922382
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
2-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;3-methyl-5,11-diphenylindolo[3,2-b]carbazole;2-methyl-9-(4-methylphenyl)-9-phenylfluorene;2-methyl-9,9'-spirobi[fluorene];3-methyl-9,9'-spirobi[fluorene];4'-methyl-9,9'-spirobi[fluorene]
CID 157438705

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is CC.CC.CC1=CC=C(c2ccccc2)CC1.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Cc1cccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)C4=C(CCC=C4)C5(c4ccccc4)c4ccccc4)c3c2)c1.
What is the InChIKey of 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]?
The InChIKey is HNKRBYUCMKZQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N.C26H18.C13H14.2C2H6/c1-30-13-12-14-31(27-30)32-23-25-38-37-20-9-11-22-42(37)45(43(38)28-32)35-24-26-41-39(29-35)36-19-8-10-21-40(36)44(41,33-15-4-2-5-16-33)34-17-6-3-7-18-34;1-17-14-15-21-20-10-4-7-13-24(20)26(25(21)16-17)22-11-5-2-8-18(22)19-9-3-6-12-23(19)26;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;2*1-2/h2-9,11-20,22-29H,10,21H2,1H3;2-16H,1H3;2-7,9H,8,10H2,1H3;2*1-2H3.
What are the key properties of 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]?
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] has a molecular weight of 1136.58 g/mol, XLogP of 23.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 144911495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).