N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine

C51H31NO — CID 140962343

IUPACN-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2ccc3ccccc3c2-4)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C51H31NO/c1-2-14-35(15-3-1)52(47-23-12-20-41-40-19-8-11-24-48(40)53-50(41)47)36-27-25-33-30-42-46(31-34(33)29-36)51(45-28-26-32-13-4-5-16-37(32)49(42)45)43-21-9-6-17-38(43)39-18-7-10-22-44(39)51/h1-31H
InChIKeyWEAUFZAFIDVMAE-UHFFFAOYSA-N
MW673.82 g/mol
LogP13.71
Rot. Bonds3

About N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine

N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine (PubChem CID 140962343) has the molecular formula C51H31NO and a molecular weight of 673.82 g/mol. Its IUPAC name is N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine
PubChem CID140962343
Molecular FormulaC51H31NO
Molecular Weight673.82 g/mol
Exact Mass673.24
IUPAC NameN-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2ccc3ccccc3c2-4)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C51H31NO/c1-2-14-35(15-3-1)52(47-23-12-20-41-40-19-8-11-24-48(40)53-50(41)47)36-27-25-33-30-42-46(31-34(33)29-36)51(45-28-26-32-13-4-5-16-37(32)49(42)45)43-21-9-6-17-38(43)39-18-7-10-22-44(39)51/h1-31H
InChIKeyWEAUFZAFIDVMAE-UHFFFAOYSA-N
XLogP13.71
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.82
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine with MolForge

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Related Compounds

7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(4-propan-2-ylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137494601
7-N',17-N'-di(dibenzofuran-4-yl)-7-N',17-N'-bis(2-methylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137493213
N-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine
CID 140961739
N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 90140356
9-N',17-N'-di(dibenzofuran-4-yl)-9-N',17-N'-bis(4-propan-2-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine
CID 137492809
N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 164960101
7-N',17-N'-di(dibenzofuran-1-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137492867
7-N',17-N'-diphenyl-7-N',17-N'-bis(2-phenylphenyl)spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 137493452
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915337
N-[4-[17'-[4-(N-dibenzofuran-4-ylanilino)phenyl]spiro[benzo[c]fluorene-7,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene]-7'-yl]phenyl]-N-phenyldibenzofuran-4-amine
CID 137493510
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-10-amine
CID 164730828
N-(4-ethylphenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-amine
CID 137494328

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine?
The IUPAC name of N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine (CID 140962343) is N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine.
What is the SMILES notation for N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine?
The canonical SMILES for N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine is c1ccc(N(c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2ccc3ccccc3c2-4)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine?
The InChIKey is WEAUFZAFIDVMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31NO/c1-2-14-35(15-3-1)52(47-23-12-20-41-40-19-8-11-24-48(40)53-50(41)47)36-27-25-33-30-42-46(31-34(33)29-36)51(45-28-26-32-13-4-5-16-37(32)49(42)45)43-21-9-6-17-38(43)39-18-7-10-22-44(39)51/h1-31H.
What are the key properties of N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine?
N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine has a molecular weight of 673.82 g/mol, XLogP of 13.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yldibenzofuran-4-amine is sourced from PubChem (CID 140962343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).