3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

C72H52N2 — CID 163828573

IUPAC3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc2C2(C)C=CC=CC12
InChIInChI=1S/C72H52N2/c1-71(2)63-45-51(32-39-62(63)72(3)42-16-15-27-68(71)72)50-34-41-67-61(44-50)60-43-49(46-28-35-52(36-29-46)73-64-25-13-11-19-54(64)55-20-12-14-26-65(55)73)33-40-66(60)74(67)53-37-30-48(31-38-53)70-58-23-9-7-21-56(58)69(47-17-5-4-6-18-47)57-22-8-10-24-59(57)70/h4-45,68H,1-3H3
InChIKeyOBRZJGMPFYELFR-UHFFFAOYSA-N
MW945.22 g/mol
LogP19.15
Rot. Bonds6

About 3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 163828573) has the molecular formula C72H52N2 and a molecular weight of 945.22 g/mol. Its IUPAC name is 3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
PubChem CID163828573
Molecular FormulaC72H52N2
Molecular Weight945.22 g/mol
Exact Mass944.41
IUPAC Name3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
SMILESCC1(C)c2cc(-c3ccc4c(c3)c3cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc2C2(C)C=CC=CC12
InChIInChI=1S/C72H52N2/c1-71(2)63-45-51(32-39-62(63)72(3)42-16-15-27-68(71)72)50-34-41-67-61(44-50)60-43-49(46-28-35-52(36-29-46)73-64-25-13-11-19-54(64)55-20-12-14-26-65(55)73)33-40-66(60)74(67)53-37-30-48(31-38-53)70-58-23-9-7-21-56(58)69(47-17-5-4-6-18-47)57-22-8-10-24-59(57)70/h4-45,68H,1-3H3
InChIKeyOBRZJGMPFYELFR-UHFFFAOYSA-N
XLogP19.15
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.22
LogP ≤ 519.15
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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Frequently Asked Questions

What is the IUPAC name of 3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The IUPAC name of 3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (CID 163828573) is 3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.
What is the SMILES notation for 3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The canonical SMILES for 3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is CC1(C)c2cc(-c3ccc4c(c3)c3cc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc2C2(C)C=CC=CC12.
What is the InChIKey of 3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
The InChIKey is OBRZJGMPFYELFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52N2/c1-71(2)63-45-51(32-39-62(63)72(3)42-16-15-27-68(71)72)50-34-41-67-61(44-50)60-43-49(46-28-35-52(36-29-46)73-64-25-13-11-19-54(64)55-20-12-14-26-65(55)73)33-40-66(60)74(67)53-37-30-48(31-38-53)70-58-23-9-7-21-56(58)69(47-17-5-4-6-18-47)57-22-8-10-24-59(57)70/h4-45,68H,1-3H3.
What are the key properties of 3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?
3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole has a molecular weight of 945.22 g/mol, XLogP of 19.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4b,9,9-trimethyl-8aH-fluoren-2-yl)-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 163828573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).