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

C69H52N2 — CID 89110828

IUPAC9-[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
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4c5cc(-n6c7c(c8c6CCC=C8)CCC=C7)ccc5c(-c5cccc6ccccc56)c5cc(-n6c7c(c8ccccc86)CCC=C7)ccc45)c3)cc21
InChIInChI=1S/C69H52N2/c1-69(2)61-28-10-5-22-50(61)51-36-33-45(40-62(51)69)44-19-15-20-46(39-44)67-57-37-34-48(71-65-31-13-8-25-54(65)55-26-9-14-32-66(55)71)42-60(57)68(56-27-16-18-43-17-3-4-21-49(43)56)58-38-35-47(41-59(58)67)70-63-29-11-6-23-52(63)53-24-7-12-30-64(53)70/h3-6,8,10,12-23,25,27-28,30-42H,7,9,11,24,26,29H2,1-2H3
InChIKeyOFNZMCJKPJNVGZ-UHFFFAOYSA-N
MW909.19 g/mol
LogP18.07
Rot. Bonds5

About 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

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 (PubChem CID 89110828) has the molecular formula C69H52N2 and a molecular weight of 909.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID89110828
Molecular FormulaC69H52N2
Molecular Weight909.19 g/mol
Exact Mass908.41
IUPAC Name9-[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
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4c5cc(-n6c7c(c8c6CCC=C8)CCC=C7)ccc5c(-c5cccc6ccccc56)c5cc(-n6c7c(c8ccccc86)CCC=C7)ccc45)c3)cc21
InChIInChI=1S/C69H52N2/c1-69(2)61-28-10-5-22-50(61)51-36-33-45(40-62(51)69)44-19-15-20-46(39-44)67-57-37-34-48(71-65-31-13-8-25-54(65)55-26-9-14-32-66(55)71)42-60(57)68(56-27-16-18-43-17-3-4-21-49(43)56)58-38-35-47(41-59(58)67)70-63-29-11-6-23-52(63)53-24-7-12-30-64(53)70/h3-6,8,10,12-23,25,27-28,30-42H,7,9,11,24,26,29H2,1-2H3
InChIKeyOFNZMCJKPJNVGZ-UHFFFAOYSA-N
XLogP18.07
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.19
LogP ≤ 518.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
9-[6-carbazol-9-yl-9-(9,9-dimethylfluoren-2-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-2-yl]carbazole
CID 59220162
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
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
6-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenyl-1,2-dihydrocarbazole
CID 67678813
5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole
CID 129084148
10-[9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220074
7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170245027
4-[4-[3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-14-[4-[6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1,2-dihydrocarbazol-9-yl]phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 161157830
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene
CID 20822239
11-[10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-6-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89110850
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196314

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4c5cc(-n6c7c(c8c6CCC=C8)CCC=C7)ccc5c(-c5cccc6ccccc56)c5cc(-n6c7c(c8ccccc86)CCC=C7)ccc45)c3)cc21.
What is the InChIKey of 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?
The InChIKey is OFNZMCJKPJNVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H52N2/c1-69(2)61-28-10-5-22-50(61)51-36-33-45(40-62(51)69)44-19-15-20-46(39-44)67-57-37-34-48(71-65-31-13-8-25-54(65)55-26-9-14-32-66(55)71)42-60(57)68(56-27-16-18-43-17-3-4-21-49(43)56)58-38-35-47(41-59(58)67)70-63-29-11-6-23-52(63)53-24-7-12-30-64(53)70/h3-6,8,10,12-23,25,27-28,30-42H,7,9,11,24,26,29H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 909.19 g/mol, XLogP of 18.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89110828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).