N-[3-[1-ethenyl-7-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl]-2-methyl-1-benzofuran-6-yl]-N,9-diphenylcarbazol-3-amine

C71H48N4O2 — CID 166829781

IUPACN-[3-[1-ethenyl-7-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl]-2-methyl-1-benzofuran-6-yl]-N,9-diphenylcarbazol-3-amine
SMILESC=Cc1c(-c2c(C)oc3cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc23)ccc2oc3cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3c12
InChIInChI=1S/C71H48N4O2/c1-3-55-58(70-46(2)76-68-44-53(32-36-59(68)70)72(47-20-8-4-9-21-47)51-34-39-65-61(42-51)56-28-16-18-30-63(56)74(65)49-24-12-6-13-25-49)38-41-67-71(55)60-37-33-54(45-69(60)77-67)73(48-22-10-5-11-23-48)52-35-40-66-62(43-52)57-29-17-19-31-64(57)75(66)50-26-14-7-15-27-50/h3-45H,1H2,2H3
InChIKeyZLLWYARLJVMQHX-UHFFFAOYSA-N
MW989.19 g/mol
LogP20.08
Rot. Bonds10

About N-[3-[1-ethenyl-7-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl]-2-methyl-1-benzofuran-6-yl]-N,9-diphenylcarbazol-3-amine

N-[3-[1-ethenyl-7-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl]-2-methyl-1-benzofuran-6-yl]-N,9-diphenylcarbazol-3-amine (PubChem CID 166829781) has the molecular formula C71H48N4O2 and a molecular weight of 989.19 g/mol. Its IUPAC name is N-[3-[1-ethenyl-7-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl]-2-methyl-1-benzofuran-6-yl]-N,9-diphenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[3-[1-ethenyl-7-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl]-2-methyl-1-benzofuran-6-yl]-N,9-diphenylcarbazol-3-amine
PubChem CID166829781
Molecular FormulaC71H48N4O2
Molecular Weight989.19 g/mol
Exact Mass988.38
IUPAC NameN-[3-[1-ethenyl-7-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl]-2-methyl-1-benzofuran-6-yl]-N,9-diphenylcarbazol-3-amine
SMILESC=Cc1c(-c2c(C)oc3cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc23)ccc2oc3cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3c12
InChIInChI=1S/C71H48N4O2/c1-3-55-58(70-46(2)76-68-44-53(32-36-59(68)70)72(47-20-8-4-9-21-47)51-34-39-65-61(42-51)56-28-16-18-30-63(56)74(65)49-24-12-6-13-25-49)38-41-67-71(55)60-37-33-54(45-69(60)77-67)73(48-22-10-5-11-23-48)52-35-40-66-62(43-52)57-29-17-19-31-64(57)75(66)50-26-14-7-15-27-50/h3-45H,1H2,2H3
InChIKeyZLLWYARLJVMQHX-UHFFFAOYSA-N
XLogP20.08
TPSA42.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.19
LogP ≤ 520.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
N-[4-(9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaen-6-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 162697693
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
1-N,1-N,4-N,4-N,7-N-pentakis-phenyl-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-1,4,7-triamine
CID 162473597
5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795870
8-N,23-N-diphenyl-8-N,23-N-bis(9-phenylcarbazol-3-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155362746
6-N,18-N-bis[9-[3,5-di(propan-2-yl)phenyl]carbazol-3-yl]-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 156529794
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine
CID 170235145
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine
CID 129085164
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
CID 164831591

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-ethenyl-7-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl]-2-methyl-1-benzofuran-6-yl]-N,9-diphenylcarbazol-3-amine?
The IUPAC name of N-[3-[1-ethenyl-7-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl]-2-methyl-1-benzofuran-6-yl]-N,9-diphenylcarbazol-3-amine (CID 166829781) is N-[3-[1-ethenyl-7-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl]-2-methyl-1-benzofuran-6-yl]-N,9-diphenylcarbazol-3-amine.
What is the SMILES notation for N-[3-[1-ethenyl-7-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl]-2-methyl-1-benzofuran-6-yl]-N,9-diphenylcarbazol-3-amine?
The canonical SMILES for N-[3-[1-ethenyl-7-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl]-2-methyl-1-benzofuran-6-yl]-N,9-diphenylcarbazol-3-amine is C=Cc1c(-c2c(C)oc3cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc23)ccc2oc3cc(N(c4ccccc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3c12.
What is the InChIKey of N-[3-[1-ethenyl-7-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl]-2-methyl-1-benzofuran-6-yl]-N,9-diphenylcarbazol-3-amine?
The InChIKey is ZLLWYARLJVMQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H48N4O2/c1-3-55-58(70-46(2)76-68-44-53(32-36-59(68)70)72(47-20-8-4-9-21-47)51-34-39-65-61(42-51)56-28-16-18-30-63(56)74(65)49-24-12-6-13-25-49)38-41-67-71(55)60-37-33-54(45-69(60)77-67)73(48-22-10-5-11-23-48)52-35-40-66-62(43-52)57-29-17-19-31-64(57)75(66)50-26-14-7-15-27-50/h3-45H,1H2,2H3.
What are the key properties of N-[3-[1-ethenyl-7-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl]-2-methyl-1-benzofuran-6-yl]-N,9-diphenylcarbazol-3-amine?
N-[3-[1-ethenyl-7-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl]-2-methyl-1-benzofuran-6-yl]-N,9-diphenylcarbazol-3-amine has a molecular weight of 989.19 g/mol, XLogP of 20.08, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-ethenyl-7-(N-(9-phenylcarbazol-3-yl)anilino)dibenzofuran-2-yl]-2-methyl-1-benzofuran-6-yl]-N,9-diphenylcarbazol-3-amine is sourced from PubChem (CID 166829781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).