5-phenanthren-9-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-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-7-amine

C63H37NO2 — CID 170536382

IUPAC5-phenanthren-9-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-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-7-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cc(-c3cc4ccccc4c4ccccc34)cc3c2oc2ccc4oc5ccccc5c4c23)cc1
InChIInChI=1S/C63H37NO2/c1-2-17-40(18-3-1)64(41-30-31-48-47-24-10-14-28-54(47)63(55(48)37-41)52-26-12-8-22-45(52)46-23-9-13-27-53(46)63)56-36-39(50-34-38-16-4-5-19-42(38)43-20-6-7-21-44(43)50)35-51-61-59(66-62(51)56)33-32-58-60(61)49-25-11-15-29-57(49)65-58/h1-37H
InChIKeyHBYPPCHSDAIIQU-UHFFFAOYSA-N
MW839.99 g/mol
LogP17.27
Rot. Bonds4

About 5-phenanthren-9-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-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-7-amine

5-phenanthren-9-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-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-7-amine (PubChem CID 170536382) has the molecular formula C63H37NO2 and a molecular weight of 839.99 g/mol. Its IUPAC name is 5-phenanthren-9-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-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-7-amine.

Molecular Properties

Compound Name5-phenanthren-9-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-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-7-amine
PubChem CID170536382
Molecular FormulaC63H37NO2
Molecular Weight839.99 g/mol
Exact Mass839.28
IUPAC Name5-phenanthren-9-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-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-7-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cc(-c3cc4ccccc4c4ccccc34)cc3c2oc2ccc4oc5ccccc5c4c23)cc1
InChIInChI=1S/C63H37NO2/c1-2-17-40(18-3-1)64(41-30-31-48-47-24-10-14-28-54(47)63(55(48)37-41)52-26-12-8-22-45(52)46-23-9-13-27-53(46)63)56-36-39(50-34-38-16-4-5-19-42(38)43-20-6-7-21-44(43)50)35-51-61-59(66-62(51)56)33-32-58-60(61)49-25-11-15-29-57(49)65-58/h1-37H
InChIKeyHBYPPCHSDAIIQU-UHFFFAOYSA-N
XLogP17.27
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.99
LogP ≤ 517.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-phenanthren-9-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-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-7-amine with MolForge

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Related Compounds

5-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-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-7-amine
CID 170536164
5-phenanthren-9-yl-N-phenyl-N-(4-phenylphenyl)-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-7-amine
CID 170536105
N,5-bis(9,9-dimethylfluoren-2-yl)-N-phenyl-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-7-amine
CID 170536283
N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 164960101
N-phenyl-6-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 174320690
5-naphthalen-1-yl-N,N-bis(4-phenylphenyl)-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-7-amine
CID 170535875
N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444490
N-(9,9-diphenylfluoren-2-yl)-N-(5-phenanthren-9-yl-2-phenylphenyl)dibenzofuran-3-amine
CID 167234281
4-(7-phenanthren-9-yl-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)-N,N-diphenylaniline
CID 170535844
N-(4-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168807492
N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-9-yldibenzofuran-2-amine
CID 118405737
4-N-dibenzofuran-1-yl-1-N,1-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2-ylbenzene-1,4-diamine
CID 166959985

Frequently Asked Questions

What is the IUPAC name of 5-phenanthren-9-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-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-7-amine?
The IUPAC name of 5-phenanthren-9-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-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-7-amine (CID 170536382) is 5-phenanthren-9-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-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-7-amine.
What is the SMILES notation for 5-phenanthren-9-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-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-7-amine?
The canonical SMILES for 5-phenanthren-9-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-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-7-amine is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cc(-c3cc4ccccc4c4ccccc34)cc3c2oc2ccc4oc5ccccc5c4c23)cc1.
What is the InChIKey of 5-phenanthren-9-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-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-7-amine?
The InChIKey is HBYPPCHSDAIIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37NO2/c1-2-17-40(18-3-1)64(41-30-31-48-47-24-10-14-28-54(47)63(55(48)37-41)52-26-12-8-22-45(52)46-23-9-13-27-53(46)63)56-36-39(50-34-38-16-4-5-19-42(38)43-20-6-7-21-44(43)50)35-51-61-59(66-62(51)56)33-32-58-60(61)49-25-11-15-29-57(49)65-58/h1-37H.
What are the key properties of 5-phenanthren-9-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-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-7-amine?
5-phenanthren-9-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-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-7-amine has a molecular weight of 839.99 g/mol, XLogP of 17.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenanthren-9-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-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-7-amine is sourced from PubChem (CID 170536382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).