N-cyclohexa-1,3-dien-1-yl-9-phenyl-N-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-ylcarbazol-3-amine

C55H36N2O2 — CID 138582560

IUPACN-cyclohexa-1,3-dien-1-yl-9-phenyl-N-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-ylcarbazol-3-amine
SMILESC1=CCCC(N(c2ccc3c(c2)Oc2cc4c(cc2O3)-c2ccccc2C42c3ccccc3-c3ccccc32)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=C1
InChIInChI=1S/C55H36N2O2/c1-3-15-35(16-4-1)56(37-27-29-50-44(31-37)42-22-10-14-26-49(42)57(50)36-17-5-2-6-18-36)38-28-30-51-52(32-38)59-54-34-48-43(33-53(54)58-51)41-21-9-13-25-47(41)55(48)45-23-11-7-19-39(45)40-20-8-12-24-46(40)55/h1-3,5-15,17-34H,4,16H2
InChIKeyVUOAVRXMJGULHV-UHFFFAOYSA-N
MW756.91 g/mol
LogP14.40
Rot. Bonds4

About N-cyclohexa-1,3-dien-1-yl-9-phenyl-N-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-ylcarbazol-3-amine

N-cyclohexa-1,3-dien-1-yl-9-phenyl-N-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-ylcarbazol-3-amine (PubChem CID 138582560) has the molecular formula C55H36N2O2 and a molecular weight of 756.91 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-9-phenyl-N-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-ylcarbazol-3-amine.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-9-phenyl-N-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-ylcarbazol-3-amine
PubChem CID138582560
Molecular FormulaC55H36N2O2
Molecular Weight756.91 g/mol
Exact Mass756.28
IUPAC NameN-cyclohexa-1,3-dien-1-yl-9-phenyl-N-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-ylcarbazol-3-amine
SMILESC1=CCCC(N(c2ccc3c(c2)Oc2cc4c(cc2O3)-c2ccccc2C42c3ccccc3-c3ccccc32)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=C1
InChIInChI=1S/C55H36N2O2/c1-3-15-35(16-4-1)56(37-27-29-50-44(31-37)42-22-10-14-26-49(42)57(50)36-17-5-2-6-18-36)38-28-30-51-52(32-38)59-54-34-48-43(33-53(54)58-51)41-21-9-13-25-47(41)55(48)45-23-11-7-19-39(45)40-20-8-12-24-46(40)55/h1-3,5-15,17-34H,4,16H2
InChIKeyVUOAVRXMJGULHV-UHFFFAOYSA-N
XLogP14.40
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.91
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclohexa-1,3-dien-1-yl-9-phenyl-N-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-ylcarbazol-3-amine with MolForge

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Related Compounds

N-(3-carbazol-9-ylphenyl)-N-dibenzofuran-3-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine
CID 138582562
N-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene-10,9'-fluorene]-18-amine
CID 138581498
N-dibenzo-p-dioxin-2-yl-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 126629726
N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
N-(4-dibenzo-p-dioxin-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 126629784
N-[4-(9-cyclohexa-1,3-dien-1-ylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 146658906
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
7-N-cyclohexa-1,3-dien-1-yl-2-N,7-N-bis(9-ethylcarbazol-3-yl)-2-N-phenylspiro[fluorene-9,9'-thioxanthene]-2,7-diamine
CID 146553201
9-cyclohexa-1,3-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-yl]carbazol-3-amine
CID 89163979
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine
CID 126636088
N-cyclohexa-1,3-dien-1-yl-9-phenyl-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazol-3-amine
CID 71016335

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-9-phenyl-N-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-ylcarbazol-3-amine?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-9-phenyl-N-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-ylcarbazol-3-amine (CID 138582560) is N-cyclohexa-1,3-dien-1-yl-9-phenyl-N-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-ylcarbazol-3-amine.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-9-phenyl-N-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-ylcarbazol-3-amine?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-9-phenyl-N-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-ylcarbazol-3-amine is C1=CCCC(N(c2ccc3c(c2)Oc2cc4c(cc2O3)-c2ccccc2C42c3ccccc3-c3ccccc32)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)=C1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-9-phenyl-N-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-ylcarbazol-3-amine?
The InChIKey is VUOAVRXMJGULHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2O2/c1-3-15-35(16-4-1)56(37-27-29-50-44(31-37)42-22-10-14-26-49(42)57(50)36-17-5-2-6-18-36)38-28-30-51-52(32-38)59-54-34-48-43(33-53(54)58-51)41-21-9-13-25-47(41)55(48)45-23-11-7-19-39(45)40-20-8-12-24-46(40)55/h1-3,5-15,17-34H,4,16H2.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-9-phenyl-N-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-ylcarbazol-3-amine?
N-cyclohexa-1,3-dien-1-yl-9-phenyl-N-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-ylcarbazol-3-amine has a molecular weight of 756.91 g/mol, XLogP of 14.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-9-phenyl-N-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-ylcarbazol-3-amine is sourced from PubChem (CID 138582560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).