12-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine

C67H42N2O2 — CID 158629959

IUPAC12-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4oc5c(-n6c7ccccc7c7ccccc76)c6c(cc5c4c3)oc3ccccc36)c2)cc1
InChIInChI=1S/C67H42N2O2/c1-4-19-43(20-5-1)44-21-18-26-47(39-44)68(49-35-37-51-50-27-10-14-31-57(50)67(58(51)41-49,45-22-6-2-7-23-45)46-24-8-3-9-25-46)48-36-38-62-55(40-48)56-42-63-64(54-30-13-17-34-61(54)70-63)65(66(56)71-62)69-59-32-15-11-28-52(59)53-29-12-16-33-60(53)69/h1-42H
InChIKeyHZBKNKAOLUZKNX-UHFFFAOYSA-N
MW907.09 g/mol
LogP18.08
Rot. Bonds7

About 12-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine

12-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine (PubChem CID 158629959) has the molecular formula C67H42N2O2 and a molecular weight of 907.09 g/mol. Its IUPAC name is 12-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine.

Molecular Properties

Compound Name12-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine
PubChem CID158629959
Molecular FormulaC67H42N2O2
Molecular Weight907.09 g/mol
Exact Mass906.32
IUPAC Name12-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4oc5c(-n6c7ccccc7c7ccccc76)c6c(cc5c4c3)oc3ccccc36)c2)cc1
InChIInChI=1S/C67H42N2O2/c1-4-19-43(20-5-1)44-21-18-26-47(39-44)68(49-35-37-51-50-27-10-14-31-57(50)67(58(51)41-49,45-22-6-2-7-23-45)46-24-8-3-9-25-46)48-36-38-62-55(40-48)56-42-63-64(54-30-13-17-34-61(54)70-63)65(66(56)71-62)69-59-32-15-11-28-52(59)53-29-12-16-33-60(53)69/h1-42H
InChIKeyHZBKNKAOLUZKNX-UHFFFAOYSA-N
XLogP18.08
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.09
LogP ≤ 518.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 89426453
N-[3-[3-(9-dibenzofuran-2-ylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118505770
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(3-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine
CID 122578451
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121381687
N-(9,9-diphenylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-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-6-amine
CID 171050339
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 164956746
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine
CID 135168391
3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096723
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
N-(3-dibenzofuran-2-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298560
N-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 164769090
9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176759858

Frequently Asked Questions

What is the IUPAC name of 12-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine?
The IUPAC name of 12-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine (CID 158629959) is 12-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine.
What is the SMILES notation for 12-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine?
The canonical SMILES for 12-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4oc5c(-n6c7ccccc7c7ccccc76)c6c(cc5c4c3)oc3ccccc36)c2)cc1.
What is the InChIKey of 12-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine?
The InChIKey is HZBKNKAOLUZKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2O2/c1-4-19-43(20-5-1)44-21-18-26-47(39-44)68(49-35-37-51-50-27-10-14-31-57(50)67(58(51)41-49,45-22-6-2-7-23-45)46-24-8-3-9-25-46)48-36-38-62-55(40-48)56-42-63-64(54-30-13-17-34-61(54)70-63)65(66(56)71-62)69-59-32-15-11-28-52(59)53-29-12-16-33-60(53)69/h1-42H.
What are the key properties of 12-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine?
12-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine has a molecular weight of 907.09 g/mol, XLogP of 18.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-6-amine is sourced from PubChem (CID 158629959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).