N-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine

C54H34N2O2 — CID 163655388

IUPACN-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cc5c6ccccc6oc5c5oc6ccccc6c45)c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C54H34N2O2/c1-3-15-35(16-4-1)36-17-13-21-39(31-36)55(41-29-30-49-46(33-41)42-23-7-10-26-48(42)56(49)38-19-5-2-6-20-38)40-22-14-18-37(32-40)45-34-47-43-24-8-11-27-50(43)57-53(47)54-52(45)44-25-9-12-28-51(44)58-54/h1-34H
InChIKeyIPTZMHGVVHHDKT-UHFFFAOYSA-N
MW742.88 g/mol
LogP15.39
Rot. Bonds6

About N-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine

N-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine (PubChem CID 163655388) has the molecular formula C54H34N2O2 and a molecular weight of 742.88 g/mol. Its IUPAC name is N-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
PubChem CID163655388
Molecular FormulaC54H34N2O2
Molecular Weight742.88 g/mol
Exact Mass742.26
IUPAC NameN-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cc5c6ccccc6oc5c5oc6ccccc6c45)c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C54H34N2O2/c1-3-15-35(16-4-1)36-17-13-21-39(31-36)55(41-29-30-49-46(33-41)42-23-7-10-26-48(42)56(49)38-19-5-2-6-20-38)40-22-14-18-37(32-40)45-34-47-43-24-8-11-27-50(43)57-53(47)54-52(45)44-25-9-12-28-51(44)58-54/h1-34H
InChIKeyIPTZMHGVVHHDKT-UHFFFAOYSA-N
XLogP15.39
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.88
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine with MolForge

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Related Compounds

7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121443658
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576
N-naphtho[2,1-b][1]benzofuran-6-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 170034060
N-(3-carbazol-9-ylphenyl)-N-phenyl-5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 167143213
N-[4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]anilino]phenyl]anilino]phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159314688
N-naphtho[2,3-b][1]benzofuran-9-yl-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 163536475
N-(10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-yl)-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 170779636
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
The IUPAC name of N-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine (CID 163655388) is N-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for N-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
The canonical SMILES for N-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine is c1ccc(-c2cccc(N(c3cccc(-c4cc5c6ccccc6oc5c5oc6ccccc6c45)c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of N-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
The InChIKey is IPTZMHGVVHHDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O2/c1-3-15-35(16-4-1)36-17-13-21-39(31-36)55(41-29-30-49-46(33-41)42-23-7-10-26-48(42)56(49)38-19-5-2-6-20-38)40-22-14-18-37(32-40)45-34-47-43-24-8-11-27-50(43)57-53(47)54-52(45)44-25-9-12-28-51(44)58-54/h1-34H.
What are the key properties of N-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
N-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine has a molecular weight of 742.88 g/mol, XLogP of 15.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 163655388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).