9-[10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-3,4-dihydrocarbazole

C51H51N3 — CID 89111343

IUPAC9-[10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-3,4-dihydrocarbazole
SMILESCC1(C)C2=C(CCC=C2)c2ccc(-c3c4cc(N5CCCCC5)ccc4c(-n4c5c(c6ccccc64)CCC=C5)c4cc(N5CCCCC5)ccc34)cc21
InChIInChI=1S/C51H51N3/c1-51(2)45-18-8-5-15-37(45)38-24-21-34(31-46(38)51)49-41-25-22-36(53-29-13-4-14-30-53)33-44(41)50(42-26-23-35(32-43(42)49)52-27-11-3-12-28-52)54-47-19-9-6-16-39(47)40-17-7-10-20-48(40)54/h6,8-10,16,18-26,31-33H,3-5,7,11-15,17,27-30H2,1-2H3
InChIKeyRAUTUMLEKNQQND-UHFFFAOYSA-N
MW705.99 g/mol
LogP12.94
Rot. Bonds4

About 9-[10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-3,4-dihydrocarbazole

9-[10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-3,4-dihydrocarbazole (PubChem CID 89111343) has the molecular formula C51H51N3 and a molecular weight of 705.99 g/mol. Its IUPAC name is 9-[10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-3,4-dihydrocarbazole.

Molecular Properties

Compound Name9-[10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-3,4-dihydrocarbazole
PubChem CID89111343
Molecular FormulaC51H51N3
Molecular Weight705.99 g/mol
Exact Mass705.41
IUPAC Name9-[10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-3,4-dihydrocarbazole
SMILESCC1(C)C2=C(CCC=C2)c2ccc(-c3c4cc(N5CCCCC5)ccc4c(-n4c5c(c6ccccc64)CCC=C5)c4cc(N5CCCCC5)ccc34)cc21
InChIInChI=1S/C51H51N3/c1-51(2)45-18-8-5-15-37(45)38-24-21-34(31-46(38)51)49-41-25-22-36(53-29-13-4-14-30-53)33-44(41)50(42-26-23-35(32-43(42)49)52-27-11-3-12-28-52)54-47-19-9-6-16-39(47)40-17-7-10-20-48(40)54/h6,8-10,16,18-26,31-33H,3-5,7,11-15,17,27-30H2,1-2H3
InChIKeyRAUTUMLEKNQQND-UHFFFAOYSA-N
XLogP12.94
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.99
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[10-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]carbazole
CID 89139288
9-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-1-yl-6-(1,2,5,6-tetrahydrocarbazol-9-yl)anthracen-2-yl]-3,4-dihydrocarbazole
CID 89110828
9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 89338237
7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170245027
6-(9,9-dimethylfluoren-2-yl)-9-(5-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,14,17-nonaenyl)-3,4-dihydrocarbazole
CID 118527854
1-[9-(7,8-dihydronaphthalen-2-yl)-10-(4-phenylphenyl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 89111153
1-[9-(6b,10a-dihydrofluoranthen-3-yl)-10-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 89110876
N-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine
CID 70904528
9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]carbazole
CID 59195147
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259
1-[9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-10-(9,9-dimethyl-7,8-dihydrofluoren-3-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
CID 89111159
N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline
CID 89196839

Frequently Asked Questions

What is the IUPAC name of 9-[10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-3,4-dihydrocarbazole?
The IUPAC name of 9-[10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-3,4-dihydrocarbazole (CID 89111343) is 9-[10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-3,4-dihydrocarbazole.
What is the SMILES notation for 9-[10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-3,4-dihydrocarbazole?
The canonical SMILES for 9-[10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-3,4-dihydrocarbazole is CC1(C)C2=C(CCC=C2)c2ccc(-c3c4cc(N5CCCCC5)ccc4c(-n4c5c(c6ccccc64)CCC=C5)c4cc(N5CCCCC5)ccc34)cc21.
What is the InChIKey of 9-[10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-3,4-dihydrocarbazole?
The InChIKey is RAUTUMLEKNQQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H51N3/c1-51(2)45-18-8-5-15-37(45)38-24-21-34(31-46(38)51)49-41-25-22-36(53-29-13-4-14-30-53)33-44(41)50(42-26-23-35(32-43(42)49)52-27-11-3-12-28-52)54-47-19-9-6-16-39(47)40-17-7-10-20-48(40)54/h6,8-10,16,18-26,31-33H,3-5,7,11-15,17,27-30H2,1-2H3.
What are the key properties of 9-[10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-3,4-dihydrocarbazole?
9-[10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-3,4-dihydrocarbazole has a molecular weight of 705.99 g/mol, XLogP of 12.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[10-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-3,4-dihydrocarbazole is sourced from PubChem (CID 89111343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).