9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine

C49H39N — CID 153463086

IUPAC9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine
SMILESCC1(C)c2ccccc2-c2ccc(N3c4ccccc4C(c4ccccc4)(c4cccc5c4C(C)(C)c4ccccc4-5)c4ccccc43)cc21
InChIInChI=1S/C49H39N/c1-47(2)38-22-10-8-19-34(38)36-30-29-33(31-43(36)47)50-44-27-14-12-24-40(44)49(32-17-6-5-7-18-32,41-25-13-15-28-45(41)50)42-26-16-21-37-35-20-9-11-23-39(35)48(3,4)46(37)42/h5-31H,1-4H3
InChIKeyVXKMTFIMBTYMMN-UHFFFAOYSA-N
MW641.86 g/mol
LogP12.47
Rot. Bonds3

About 9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine

9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine (PubChem CID 153463086) has the molecular formula C49H39N and a molecular weight of 641.86 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine
PubChem CID153463086
Molecular FormulaC49H39N
Molecular Weight641.86 g/mol
Exact Mass641.31
IUPAC Name9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine
SMILESCC1(C)c2ccccc2-c2ccc(N3c4ccccc4C(c4ccccc4)(c4cccc5c4C(C)(C)c4ccccc4-5)c4ccccc43)cc21
InChIInChI=1S/C49H39N/c1-47(2)38-22-10-8-19-34(38)36-30-29-33(31-43(36)47)50-44-27-14-12-24-40(44)49(32-17-6-5-7-18-32,41-25-13-15-28-45(41)50)42-26-16-21-37-35-20-9-11-23-39(35)48(3,4)46(37)42/h5-31H,1-4H3
InChIKeyVXKMTFIMBTYMMN-UHFFFAOYSA-N
XLogP12.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.86
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-3-yl)acridine
CID 153463090
9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine
CID 153463100
10-(9,9-dimethylfluoren-2-yl)-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine
CID 146511336
9-(9,9-dimethylfluoren-1-yl)-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-9-phenylacridine
CID 146513880
5-(4-tert-butylphenyl)-10-(9,9-dimethylfluoren-2-yl)phenazine
CID 168782836
8,14-bis(9,9-dimethylfluoren-2-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 153317294
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
8,14-bis(9,9-diphenylfluoren-2-yl)-22-(9,9-diphenylfluoren-3-yl)-1-methyl-8,14,22-triaza-1-germahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 140849494
14-(9,9-dimethyl-7-phenylfluoren-2-yl)-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130439455
N-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 168750612
10-[9,9-dimethyl-6-(4,6,11-triphenylnaphtho[2,3-b][1]benzoborol-5-yl)fluoren-2-yl]-9,9-diphenylacridine
CID 164709050
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine?
The IUPAC name of 9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine (CID 153463086) is 9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine.
What is the SMILES notation for 9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine?
The canonical SMILES for 9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine is CC1(C)c2ccccc2-c2ccc(N3c4ccccc4C(c4ccccc4)(c4cccc5c4C(C)(C)c4ccccc4-5)c4ccccc43)cc21.
What is the InChIKey of 9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine?
The InChIKey is VXKMTFIMBTYMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H39N/c1-47(2)38-22-10-8-19-34(38)36-30-29-33(31-43(36)47)50-44-27-14-12-24-40(44)49(32-17-6-5-7-18-32,41-25-13-15-28-45(41)50)42-26-16-21-37-35-20-9-11-23-39(35)48(3,4)46(37)42/h5-31H,1-4H3.
What are the key properties of 9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine?
9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine has a molecular weight of 641.86 g/mol, XLogP of 12.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine is sourced from PubChem (CID 153463086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).