9-(16-carbazol-9-yl-6,17-diphenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-7-yl)carbazole

C54H32N2O2 — CID 59147563

IUPAC9-(16-carbazol-9-yl-6,17-diphenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-7-yl)carbazole
SMILESc1ccc(-c2cc3oc4c(ccc5c6cc(-n7c8ccccc8c8ccccc87)c(-c7ccccc7)cc6oc54)c3cc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C54H32N2O2/c1-3-15-33(16-4-1)41-31-51-43(29-49(41)55-45-23-11-7-19-35(45)36-20-8-12-24-46(36)55)39-27-28-40-44-30-50(56-47-25-13-9-21-37(47)38-22-10-14-26-48(38)56)42(34-17-5-2-6-18-34)32-52(44)58-54(40)53(39)57-51/h1-32H
InChIKeyKBPYXVDTRRYOOX-UHFFFAOYSA-N
MW740.86 g/mol
LogP15.01
Rot. Bonds4

About 9-(16-carbazol-9-yl-6,17-diphenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-7-yl)carbazole

9-(16-carbazol-9-yl-6,17-diphenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-7-yl)carbazole (PubChem CID 59147563) has the molecular formula C54H32N2O2 and a molecular weight of 740.86 g/mol. Its IUPAC name is 9-(16-carbazol-9-yl-6,17-diphenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-7-yl)carbazole.

Molecular Properties

Compound Name9-(16-carbazol-9-yl-6,17-diphenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-7-yl)carbazole
PubChem CID59147563
Molecular FormulaC54H32N2O2
Molecular Weight740.86 g/mol
Exact Mass740.25
IUPAC Name9-(16-carbazol-9-yl-6,17-diphenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-7-yl)carbazole
SMILESc1ccc(-c2cc3oc4c(ccc5c6cc(-n7c8ccccc8c8ccccc87)c(-c7ccccc7)cc6oc54)c3cc2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C54H32N2O2/c1-3-15-33(16-4-1)41-31-51-43(29-49(41)55-45-23-11-7-19-35(45)36-20-8-12-24-46(36)55)39-27-28-40-44-30-50(56-47-25-13-9-21-37(47)38-22-10-14-26-48(38)56)42(34-17-5-2-6-18-34)32-52(44)58-54(40)53(39)57-51/h1-32H
InChIKeyKBPYXVDTRRYOOX-UHFFFAOYSA-N
XLogP15.01
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.86
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(16-carbazol-9-yl-6,17-diphenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-7-yl)carbazole with MolForge

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Related Compounds

9-[18-(18-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-yl]carbazole
CID 67952828
9-[4-(3-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazole
CID 118530326
9-dibenzofuran-4-yl-3-(9-dibenzofuran-4-ylcarbazol-2-yl)-2-phenylcarbazole
CID 90348741
9-(6-carbazol-9-yl-16,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)carbazole
CID 67952832
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
9-(16-carbazol-9-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)carbazole
CID 59147402
9-(4-methyl-2,5-diphenylphenyl)carbazole
CID 167659525
9-(4-carbazol-9-yl-2-methyl-5-phenylphenyl)carbazole
CID 118944224
9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]carbazole
CID 169011187
9-[7-(3-phenylnaphthalen-1-yl)dibenzofuran-4-yl]carbazole
CID 146335839
11-phenyl-12-(6-phenyldibenzofuran-3-yl)indolo[2,3-a]carbazole
CID 122594951
2-dibenzofuran-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 163662232

Frequently Asked Questions

What is the IUPAC name of 9-(16-carbazol-9-yl-6,17-diphenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-7-yl)carbazole?
The IUPAC name of 9-(16-carbazol-9-yl-6,17-diphenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-7-yl)carbazole (CID 59147563) is 9-(16-carbazol-9-yl-6,17-diphenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-7-yl)carbazole.
What is the SMILES notation for 9-(16-carbazol-9-yl-6,17-diphenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-7-yl)carbazole?
The canonical SMILES for 9-(16-carbazol-9-yl-6,17-diphenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-7-yl)carbazole is c1ccc(-c2cc3oc4c(ccc5c6cc(-n7c8ccccc8c8ccccc87)c(-c7ccccc7)cc6oc54)c3cc2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-(16-carbazol-9-yl-6,17-diphenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-7-yl)carbazole?
The InChIKey is KBPYXVDTRRYOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O2/c1-3-15-33(16-4-1)41-31-51-43(29-49(41)55-45-23-11-7-19-35(45)36-20-8-12-24-46(36)55)39-27-28-40-44-30-50(56-47-25-13-9-21-37(47)38-22-10-14-26-48(38)56)42(34-17-5-2-6-18-34)32-52(44)58-54(40)53(39)57-51/h1-32H.
What are the key properties of 9-(16-carbazol-9-yl-6,17-diphenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-7-yl)carbazole?
9-(16-carbazol-9-yl-6,17-diphenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-7-yl)carbazole has a molecular weight of 740.86 g/mol, XLogP of 15.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(16-carbazol-9-yl-6,17-diphenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaen-7-yl)carbazole is sourced from PubChem (CID 59147563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).