N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,2-diphenyldibenzofuran-3-amine

C56H34N2O — CID 171728551

IUPACN-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,2-diphenyldibenzofuran-3-amine
SMILESc1ccc(-c2cc3c(cc2N(c2ccccc2)c2ccc4cc5c(cc4c2)-c2cc4ccc(-n6c7ccccc7c7ccccc76)cc4cc2-5)oc2ccccc23)cc1
InChIInChI=1S/C56H34N2O/c1-3-13-35(14-4-1)46-33-51-45-19-9-12-22-55(45)59-56(51)34-54(46)57(40-15-5-2-6-16-40)41-25-23-36-29-47-49(31-38(36)27-41)48-30-37-24-26-42(28-39(37)32-50(47)48)58-52-20-10-7-17-43(52)44-18-8-11-21-53(44)58/h1-34H
InChIKeyATHFJNLNNGJYEH-UHFFFAOYSA-N
MW750.90 g/mol
LogP15.77
Rot. Bonds5

About N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,2-diphenyldibenzofuran-3-amine

N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,2-diphenyldibenzofuran-3-amine (PubChem CID 171728551) has the molecular formula C56H34N2O and a molecular weight of 750.90 g/mol. Its IUPAC name is N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,2-diphenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,2-diphenyldibenzofuran-3-amine
PubChem CID171728551
Molecular FormulaC56H34N2O
Molecular Weight750.90 g/mol
Exact Mass750.27
IUPAC NameN-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,2-diphenyldibenzofuran-3-amine
SMILESc1ccc(-c2cc3c(cc2N(c2ccccc2)c2ccc4cc5c(cc4c2)-c2cc4ccc(-n6c7ccccc7c7ccccc76)cc4cc2-5)oc2ccccc23)cc1
InChIInChI=1S/C56H34N2O/c1-3-13-35(14-4-1)46-33-51-45-19-9-12-22-55(45)59-56(51)34-54(46)57(40-15-5-2-6-16-40)41-25-23-36-29-47-49(31-38(36)27-41)48-30-37-24-26-42(28-39(37)32-50(47)48)58-52-20-10-7-17-43(52)44-18-8-11-21-53(44)58/h1-34H
InChIKeyATHFJNLNNGJYEH-UHFFFAOYSA-N
XLogP15.77
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.90
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,2-diphenyldibenzofuran-3-amine with MolForge

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Related Compounds

N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-phenyldibenzofuran-4-amine
CID 166032307
N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 166031741
N-(4-naphthalen-2-yl-2-phenylphenyl)-N-naphtho[3,2-b][1]benzofuran-8-yl-9-phenylcarbazol-3-amine
CID 163915696
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-5-naphthalen-2-yl-2-phenylaniline
CID 167235810
16-carbazol-9-yl-N-phenyl-N-(2-phenylnaphthalen-1-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 171729097
N-[4-[2-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 118337766
N-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 163536475
N-[3-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 129085108
N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,9-diphenylcarbazol-1-amine
CID 166032412
N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(3,5-dimethylphenyl)dibenzofuran-4-amine
CID 166032273
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-N,N-diphenylaniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine
CID 159949302
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 157190055

Frequently Asked Questions

What is the IUPAC name of N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,2-diphenyldibenzofuran-3-amine?
The IUPAC name of N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,2-diphenyldibenzofuran-3-amine (CID 171728551) is N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,2-diphenyldibenzofuran-3-amine.
What is the SMILES notation for N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,2-diphenyldibenzofuran-3-amine?
The canonical SMILES for N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,2-diphenyldibenzofuran-3-amine is c1ccc(-c2cc3c(cc2N(c2ccccc2)c2ccc4cc5c(cc4c2)-c2cc4ccc(-n6c7ccccc7c7ccccc76)cc4cc2-5)oc2ccccc23)cc1.
What is the InChIKey of N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,2-diphenyldibenzofuran-3-amine?
The InChIKey is ATHFJNLNNGJYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2O/c1-3-13-35(14-4-1)46-33-51-45-19-9-12-22-55(45)59-56(51)34-54(46)57(40-15-5-2-6-16-40)41-25-23-36-29-47-49(31-38(36)27-41)48-30-37-24-26-42(28-39(37)32-50(47)48)58-52-20-10-7-17-43(52)44-18-8-11-21-53(44)58/h1-34H.
What are the key properties of N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,2-diphenyldibenzofuran-3-amine?
N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,2-diphenyldibenzofuran-3-amine has a molecular weight of 750.90 g/mol, XLogP of 15.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,2-diphenyldibenzofuran-3-amine is sourced from PubChem (CID 171728551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).