N-[3-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-5,6-dihydrofluoren-2-yl)-6-phenyl-8,9-dihydrodibenzofuran-1-amine

C73H56N2O — CID 129301288

IUPACN-[3-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-5,6-dihydrofluoren-2-yl)-6-phenyl-8,9-dihydrodibenzofuran-1-amine
SMILESC1=CCCC(n2c3ccccc3c3cc(-c4cccc(-c5cccc(N(c6ccc7c(c6)C(c6ccccc6)(C6C=CC=CC6)C6=C7CCC=C6)c6cccc7oc8c(c67)CCC=C8c6ccccc6)c5)c4)ccc32)=C1
InChIInChI=1S/C73H56N2O/c1-5-21-49(22-6-1)59-35-19-36-63-71-69(39-20-40-70(71)76-72(59)63)74(58-42-43-61-60-33-13-15-37-65(60)73(66(61)48-58,54-26-7-2-8-27-54)55-28-9-3-10-29-55)57-32-18-25-52(46-57)50-23-17-24-51(45-50)53-41-44-68-64(47-53)62-34-14-16-38-67(62)75(68)56-30-11-4-12-31-56/h1-11,14-18,20-28,30,32,34-35,37-48,55H,12-13,19,29,31,33,36H2
InChIKeyLDLPDIFTOICJLP-UHFFFAOYSA-N
MW977.26 g/mol
LogP19.45
Rot. Bonds9

About N-[3-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-5,6-dihydrofluoren-2-yl)-6-phenyl-8,9-dihydrodibenzofuran-1-amine

N-[3-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-5,6-dihydrofluoren-2-yl)-6-phenyl-8,9-dihydrodibenzofuran-1-amine (PubChem CID 129301288) has the molecular formula C73H56N2O and a molecular weight of 977.26 g/mol. Its IUPAC name is N-[3-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-5,6-dihydrofluoren-2-yl)-6-phenyl-8,9-dihydrodibenzofuran-1-amine.

Molecular Properties

Compound NameN-[3-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-5,6-dihydrofluoren-2-yl)-6-phenyl-8,9-dihydrodibenzofuran-1-amine
PubChem CID129301288
Molecular FormulaC73H56N2O
Molecular Weight977.26 g/mol
Exact Mass976.44
IUPAC NameN-[3-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-5,6-dihydrofluoren-2-yl)-6-phenyl-8,9-dihydrodibenzofuran-1-amine
SMILESC1=CCCC(n2c3ccccc3c3cc(-c4cccc(-c5cccc(N(c6ccc7c(c6)C(c6ccccc6)(C6C=CC=CC6)C6=C7CCC=C6)c6cccc7oc8c(c67)CCC=C8c6ccccc6)c5)c4)ccc32)=C1
InChIInChI=1S/C73H56N2O/c1-5-21-49(22-6-1)59-35-19-36-63-71-69(39-20-40-70(71)76-72(59)63)74(58-42-43-61-60-33-13-15-37-65(60)73(66(61)48-58,54-26-7-2-8-27-54)55-28-9-3-10-29-55)57-32-18-25-52(46-57)50-23-17-24-51(45-50)53-41-44-68-64(47-53)62-34-14-16-38-67(62)75(68)56-30-11-4-12-31-56/h1-11,14-18,20-28,30,32,34-35,37-48,55H,12-13,19,29,31,33,36H2
InChIKeyLDLPDIFTOICJLP-UHFFFAOYSA-N
XLogP19.45
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.26
LogP ≤ 519.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[3-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-5,6-dihydrofluoren-2-yl)-6-phenyl-8,9-dihydrodibenzofuran-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-5,6-dihydrofluoren-2-yl)-6-phenyl-8,9-dihydrodibenzofuran-1-amine?
The IUPAC name of N-[3-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-5,6-dihydrofluoren-2-yl)-6-phenyl-8,9-dihydrodibenzofuran-1-amine (CID 129301288) is N-[3-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-5,6-dihydrofluoren-2-yl)-6-phenyl-8,9-dihydrodibenzofuran-1-amine.
What is the SMILES notation for N-[3-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-5,6-dihydrofluoren-2-yl)-6-phenyl-8,9-dihydrodibenzofuran-1-amine?
The canonical SMILES for N-[3-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-5,6-dihydrofluoren-2-yl)-6-phenyl-8,9-dihydrodibenzofuran-1-amine is C1=CCCC(n2c3ccccc3c3cc(-c4cccc(-c5cccc(N(c6ccc7c(c6)C(c6ccccc6)(C6C=CC=CC6)C6=C7CCC=C6)c6cccc7oc8c(c67)CCC=C8c6ccccc6)c5)c4)ccc32)=C1.
What is the InChIKey of N-[3-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-5,6-dihydrofluoren-2-yl)-6-phenyl-8,9-dihydrodibenzofuran-1-amine?
The InChIKey is LDLPDIFTOICJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H56N2O/c1-5-21-49(22-6-1)59-35-19-36-63-71-69(39-20-40-70(71)76-72(59)63)74(58-42-43-61-60-33-13-15-37-65(60)73(66(61)48-58,54-26-7-2-8-27-54)55-28-9-3-10-29-55)57-32-18-25-52(46-57)50-23-17-24-51(45-50)53-41-44-68-64(47-53)62-34-14-16-38-67(62)75(68)56-30-11-4-12-31-56/h1-11,14-18,20-28,30,32,34-35,37-48,55H,12-13,19,29,31,33,36H2.
What are the key properties of N-[3-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-5,6-dihydrofluoren-2-yl)-6-phenyl-8,9-dihydrodibenzofuran-1-amine?
N-[3-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-5,6-dihydrofluoren-2-yl)-6-phenyl-8,9-dihydrodibenzofuran-1-amine has a molecular weight of 977.26 g/mol, XLogP of 19.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]phenyl]-N-(9-cyclohexa-2,4-dien-1-yl-9-phenyl-5,6-dihydrofluoren-2-yl)-6-phenyl-8,9-dihydrodibenzofuran-1-amine is sourced from PubChem (CID 129301288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).