9-[6-carbazol-9-yl-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]carbazole

C68H48N2 — CID 59219726

IUPAC9-[6-carbazol-9-yl-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccc(-n5c6ccccc6c6ccccc65)cc4c(-c4cccc5c4-c4ccccc4C5(C)C)c4ccc(-n5c6ccccc6c6ccccc65)cc34)cccc21
InChIInChI=1S/C68H48N2/c1-67(2)55-27-11-5-23-49(55)65-51(25-17-29-57(65)67)63-47-37-35-42(70-61-33-15-9-21-45(61)46-22-10-16-34-62(46)70)40-54(47)64(52-26-18-30-58-66(52)50-24-6-12-28-56(50)68(58,3)4)48-38-36-41(39-53(48)63)69-59-31-13-7-19-43(59)44-20-8-14-32-60(44)69/h5-40H,1-4H3
InChIKeyAMPKDORFERSRDU-UHFFFAOYSA-N
MW893.15 g/mol
LogP18.13
Rot. Bonds4

About 9-[6-carbazol-9-yl-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]carbazole

9-[6-carbazol-9-yl-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]carbazole (PubChem CID 59219726) has the molecular formula C68H48N2 and a molecular weight of 893.15 g/mol. Its IUPAC name is 9-[6-carbazol-9-yl-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]carbazole.

Molecular Properties

Compound Name9-[6-carbazol-9-yl-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]carbazole
PubChem CID59219726
Molecular FormulaC68H48N2
Molecular Weight893.15 g/mol
Exact Mass892.38
IUPAC Name9-[6-carbazol-9-yl-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3c4ccc(-n5c6ccccc6c6ccccc65)cc4c(-c4cccc5c4-c4ccccc4C5(C)C)c4ccc(-n5c6ccccc6c6ccccc65)cc34)cccc21
InChIInChI=1S/C68H48N2/c1-67(2)55-27-11-5-23-49(55)65-51(25-17-29-57(65)67)63-47-37-35-42(70-61-33-15-9-21-45(61)46-22-10-16-34-62(46)70)40-54(47)64(52-26-18-30-58-66(52)50-24-6-12-28-56(50)68(58,3)4)48-38-36-41(39-53(48)63)69-59-31-13-7-19-43(59)44-20-8-14-32-60(44)69/h5-40H,1-4H3
InChIKeyAMPKDORFERSRDU-UHFFFAOYSA-N
XLogP18.13
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.15
LogP ≤ 518.13
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

20-[4-(9,9-dimethylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580551
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
7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole
CID 90441170
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
9,9-dimethyl-16-(9-phenylcarbazol-3-yl)-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 126718190
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
9-[3-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163655067
5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole
CID 122595548
9-[3-carbazol-9-yl-5-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]carbazole
CID 121287743

Frequently Asked Questions

What is the IUPAC name of 9-[6-carbazol-9-yl-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]carbazole?
The IUPAC name of 9-[6-carbazol-9-yl-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]carbazole (CID 59219726) is 9-[6-carbazol-9-yl-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]carbazole.
What is the SMILES notation for 9-[6-carbazol-9-yl-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]carbazole?
The canonical SMILES for 9-[6-carbazol-9-yl-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]carbazole is CC1(C)c2ccccc2-c2c(-c3c4ccc(-n5c6ccccc6c6ccccc65)cc4c(-c4cccc5c4-c4ccccc4C5(C)C)c4ccc(-n5c6ccccc6c6ccccc65)cc34)cccc21.
What is the InChIKey of 9-[6-carbazol-9-yl-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]carbazole?
The InChIKey is AMPKDORFERSRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N2/c1-67(2)55-27-11-5-23-49(55)65-51(25-17-29-57(65)67)63-47-37-35-42(70-61-33-15-9-21-45(61)46-22-10-16-34-62(46)70)40-54(47)64(52-26-18-30-58-66(52)50-24-6-12-28-56(50)68(58,3)4)48-38-36-41(39-53(48)63)69-59-31-13-7-19-43(59)44-20-8-14-32-60(44)69/h5-40H,1-4H3.
What are the key properties of 9-[6-carbazol-9-yl-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]carbazole?
9-[6-carbazol-9-yl-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]carbazole has a molecular weight of 893.15 g/mol, XLogP of 18.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-carbazol-9-yl-9,10-bis(9,9-dimethylfluoren-4-yl)anthracen-2-yl]carbazole is sourced from PubChem (CID 59219726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).