N-[4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-phenylaniline

C64H41FN2O — CID 121357392

IUPACN-[4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-phenylaniline
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccc8c9c(cccc79)Oc7ccccc7-8)cc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C64H41FN2O/c65-49-28-36-53(37-29-49)67-60-14-6-4-11-55(60)59-41-48(27-40-61(59)67)46-19-17-43(18-20-46)45-23-32-51(33-24-45)66(50-30-21-44(22-31-50)42-9-2-1-3-10-42)52-34-25-47(26-35-52)54-38-39-58-56-12-5-7-15-62(56)68-63-16-8-13-57(54)64(58)63/h1-41H
InChIKeyWJMNIDALWYPXPN-UHFFFAOYSA-N
MW873.04 g/mol
LogP17.99
Rot. Bonds8

About N-[4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-phenylaniline

N-[4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-phenylaniline (PubChem CID 121357392) has the molecular formula C64H41FN2O and a molecular weight of 873.04 g/mol. Its IUPAC name is N-[4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-phenylaniline
PubChem CID121357392
Molecular FormulaC64H41FN2O
Molecular Weight873.04 g/mol
Exact Mass872.32
IUPAC NameN-[4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-phenylaniline
SMILESFc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccc8c9c(cccc79)Oc7ccccc7-8)cc6)cc5)cc4)ccc32)cc1
InChIInChI=1S/C64H41FN2O/c65-49-28-36-53(37-29-49)67-60-14-6-4-11-55(60)59-41-48(27-40-61(59)67)46-19-17-43(18-20-46)45-23-32-51(33-24-45)66(50-30-21-44(22-31-50)42-9-2-1-3-10-42)52-34-25-47(26-35-52)54-38-39-58-56-12-5-7-15-62(56)68-63-16-8-13-57(54)64(58)63/h1-41H
InChIKeyWJMNIDALWYPXPN-UHFFFAOYSA-N
XLogP17.99
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.04
LogP ≤ 517.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-phenylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-phenylaniline?
The IUPAC name of N-[4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-phenylaniline (CID 121357392) is N-[4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-[4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-phenylaniline?
The canonical SMILES for N-[4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-phenylaniline is Fc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccc8c9c(cccc79)Oc7ccccc7-8)cc6)cc5)cc4)ccc32)cc1.
What is the InChIKey of N-[4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-phenylaniline?
The InChIKey is WJMNIDALWYPXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41FN2O/c65-49-28-36-53(37-29-49)67-60-14-6-4-11-55(60)59-41-48(27-40-61(59)67)46-19-17-43(18-20-46)45-23-32-51(33-24-45)66(50-30-21-44(22-31-50)42-9-2-1-3-10-42)52-34-25-47(26-35-52)54-38-39-58-56-12-5-7-15-62(56)68-63-16-8-13-57(54)64(58)63/h1-41H.
What are the key properties of N-[4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-phenylaniline?
N-[4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-phenylaniline has a molecular weight of 873.04 g/mol, XLogP of 17.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]phenyl]-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-4-phenylaniline is sourced from PubChem (CID 121357392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).