3-[16-(4b-methyl-6,9-diphenyl-8aH-carbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole

C67H44N2O2 — CID 163667096

IUPAC3-[16-(4b-methyl-6,9-diphenyl-8aH-carbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole
SMILESCC12C=C(c3ccccc3)C=CC1N(c1ccccc1)c1ccc(-c3ccc4oc5c(ccc6c7cc(-c8ccc9c(c8)c8cc(-c%10ccccc%10)ccc8n9-c8ccccc8)ccc7oc65)c4c3)cc12
InChIInChI=1S/C67H44N2O2/c1-67-41-49(43-16-8-3-9-17-43)27-35-64(67)69(51-20-12-5-13-21-51)61-32-24-48(40-58(61)67)47-26-34-63-57(39-47)53-29-28-52-56-38-46(25-33-62(56)70-65(52)66(53)71-63)45-23-31-60-55(37-45)54-36-44(42-14-6-2-7-15-42)22-30-59(54)68(60)50-18-10-4-11-19-50/h2-41,64H,1H3
InChIKeyIZKBXDZYKTXETC-UHFFFAOYSA-N
MW909.10 g/mol
LogP18.01
Rot. Bonds6

About 3-[16-(4b-methyl-6,9-diphenyl-8aH-carbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole

3-[16-(4b-methyl-6,9-diphenyl-8aH-carbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole (PubChem CID 163667096) has the molecular formula C67H44N2O2 and a molecular weight of 909.10 g/mol. Its IUPAC name is 3-[16-(4b-methyl-6,9-diphenyl-8aH-carbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole.

Molecular Properties

Compound Name3-[16-(4b-methyl-6,9-diphenyl-8aH-carbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole
PubChem CID163667096
Molecular FormulaC67H44N2O2
Molecular Weight909.10 g/mol
Exact Mass908.34
IUPAC Name3-[16-(4b-methyl-6,9-diphenyl-8aH-carbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole
SMILESCC12C=C(c3ccccc3)C=CC1N(c1ccccc1)c1ccc(-c3ccc4oc5c(ccc6c7cc(-c8ccc9c(c8)c8cc(-c%10ccccc%10)ccc8n9-c8ccccc8)ccc7oc65)c4c3)cc12
InChIInChI=1S/C67H44N2O2/c1-67-41-49(43-16-8-3-9-17-43)27-35-64(67)69(51-20-12-5-13-21-51)61-32-24-48(40-58(61)67)47-26-34-63-57(39-47)53-29-28-52-56-38-46(25-33-62(56)70-65(52)66(53)71-63)45-23-31-60-55(37-45)54-36-44(42-14-6-2-7-15-42)22-30-59(54)68(60)50-18-10-4-11-19-50/h2-41,64H,1H3
InChIKeyIZKBXDZYKTXETC-UHFFFAOYSA-N
XLogP18.01
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.10
LogP ≤ 518.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[16-(4b-methyl-6,9-diphenyl-8aH-carbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole with MolForge

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Related Compounds

3-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)-9-dibenzofuran-2-ylcarbazole
CID 163507706
3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 118438947
6,17-bis(8-phenyldibenzofuran-2-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene;9-[3-[17-(3-carbazol-9-ylphenyl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]carbazole;3-[17-(6,9-diphenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]-6,9-diphenylcarbazole;3,9-diphenyl-6-(17-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl)carbazole;9-phenyl-3-[17-(9-phenylcarbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole
CID 158073977
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
12,12-dimethyl-11-phenyl-2,8-bis(8-phenyldibenzofuran-2-yl)-4a,12a-dihydroindeno[2,1-a]carbazole
CID 67953570
9-[3-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-2-yl)phenyl]-3,6-diphenylcarbazole
CID 118098908
N-[4-[4-(N-(4a-methyl-9-phenyl-9aH-carbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 126517768
3-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-6,9-diphenylcarbazole
CID 118099085
3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-6-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-16-yl)-9-phenylcarbazole
CID 142487806
9-phenyl-3-[3-(6-phenyldibenzofuran-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492344
10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828306
2-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)-6,9-diphenylcarbazole
CID 118099086

Frequently Asked Questions

What is the IUPAC name of 3-[16-(4b-methyl-6,9-diphenyl-8aH-carbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole?
The IUPAC name of 3-[16-(4b-methyl-6,9-diphenyl-8aH-carbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole (CID 163667096) is 3-[16-(4b-methyl-6,9-diphenyl-8aH-carbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole.
What is the SMILES notation for 3-[16-(4b-methyl-6,9-diphenyl-8aH-carbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole?
The canonical SMILES for 3-[16-(4b-methyl-6,9-diphenyl-8aH-carbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole is CC12C=C(c3ccccc3)C=CC1N(c1ccccc1)c1ccc(-c3ccc4oc5c(ccc6c7cc(-c8ccc9c(c8)c8cc(-c%10ccccc%10)ccc8n9-c8ccccc8)ccc7oc65)c4c3)cc12.
What is the InChIKey of 3-[16-(4b-methyl-6,9-diphenyl-8aH-carbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole?
The InChIKey is IZKBXDZYKTXETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2O2/c1-67-41-49(43-16-8-3-9-17-43)27-35-64(67)69(51-20-12-5-13-21-51)61-32-24-48(40-58(61)67)47-26-34-63-57(39-47)53-29-28-52-56-38-46(25-33-62(56)70-65(52)66(53)71-63)45-23-31-60-55(37-45)54-36-44(42-14-6-2-7-15-42)22-30-59(54)68(60)50-18-10-4-11-19-50/h2-41,64H,1H3.
What are the key properties of 3-[16-(4b-methyl-6,9-diphenyl-8aH-carbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole?
3-[16-(4b-methyl-6,9-diphenyl-8aH-carbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole has a molecular weight of 909.10 g/mol, XLogP of 18.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[16-(4b-methyl-6,9-diphenyl-8aH-carbazol-3-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl]-6,9-diphenylcarbazole is sourced from PubChem (CID 163667096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).