7-N',17-N'-di(dibenzofuran-3-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-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',17'-diamine

C69H42N2O2 — CID 137494769

IUPAC7-N',17-N'-di(dibenzofuran-3-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-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',17'-diamine
SMILESc1ccc(N(c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)ccc3c2C42c3ccccc3-c3ccccc32)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C69H42N2O2/c1-3-15-45(16-4-1)70(49-31-37-57-55-21-9-13-25-63(55)72-65(57)41-49)47-29-35-51-43(39-47)27-33-59-60-34-28-44-40-48(71(46-17-5-2-6-18-46)50-32-38-58-56-22-10-14-26-64(56)73-66(58)42-50)30-36-52(44)68(60)69(67(51)59)61-23-11-7-19-53(61)54-20-8-12-24-62(54)69/h1-42H
InChIKeySNSDKAOYWKTZKF-UHFFFAOYSA-N
MW931.11 g/mol
LogP19.07
Rot. Bonds6

About 7-N',17-N'-di(dibenzofuran-3-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-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',17'-diamine

7-N',17-N'-di(dibenzofuran-3-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-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',17'-diamine (PubChem CID 137494769) has the molecular formula C69H42N2O2 and a molecular weight of 931.11 g/mol. Its IUPAC name is 7-N',17-N'-di(dibenzofuran-3-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-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',17'-diamine.

Molecular Properties

Compound Name7-N',17-N'-di(dibenzofuran-3-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-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',17'-diamine
PubChem CID137494769
Molecular FormulaC69H42N2O2
Molecular Weight931.11 g/mol
Exact Mass930.32
IUPAC Name7-N',17-N'-di(dibenzofuran-3-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-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',17'-diamine
SMILESc1ccc(N(c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)ccc3c2C42c3ccccc3-c3ccccc32)c2ccc3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C69H42N2O2/c1-3-15-45(16-4-1)70(49-31-37-57-55-21-9-13-25-63(55)72-65(57)41-49)47-29-35-51-43(39-47)27-33-59-60-34-28-44-40-48(71(46-17-5-2-6-18-46)50-32-38-58-56-22-10-14-26-64(56)73-66(58)42-50)30-36-52(44)68(60)69(67(51)59)61-23-11-7-19-53(61)54-20-8-12-24-62(54)69/h1-42H
InChIKeySNSDKAOYWKTZKF-UHFFFAOYSA-N
XLogP19.07
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.11
LogP ≤ 519.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-N',17-N'-di(dibenzofuran-3-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-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',17'-diamine with MolForge

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Related Compounds

N-(10,10-diphenyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-N-phenyldibenzofuran-3-amine
CID 168740238
13-N,13-N,23-N,23-N-tetraphenylspiro[9-oxaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11(16),12,14,19(28),20(25),21,23,26-tridecaene-18,9'-fluorene]-13,23-diamine
CID 137494511
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine
CID 159623488
6-[17'-(N-dibenzofuran-3-ylanilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]-N-phenyl-N-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yldibenzofuran-1-amine
CID 137493223
5-N'-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-1-benzofuran-6-yl]-20-N'-dibenzofuran-3-yl-5-N',20-N'-diphenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene]-5',20'-diamine
CID 137493817
N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)-11,11-dimethyl-N-phenylfluoreno[3,2-b][1]benzofuran-9-amine
CID 130290139
N,N-bis(4-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-amine
CID 137493209
N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 177113965
7-N',17-N'-diphenyl-7-N',17-N'-bis(6-phenyldibenzofuran-4-yl)spiro[fluorene-9,12'-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',17'-diamine
CID 137492765
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 137392478
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126632
N-phenanthren-9-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine
CID 121400530

Frequently Asked Questions

What is the IUPAC name of 7-N',17-N'-di(dibenzofuran-3-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-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',17'-diamine?
The IUPAC name of 7-N',17-N'-di(dibenzofuran-3-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-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',17'-diamine (CID 137494769) is 7-N',17-N'-di(dibenzofuran-3-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-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',17'-diamine.
What is the SMILES notation for 7-N',17-N'-di(dibenzofuran-3-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-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',17'-diamine?
The canonical SMILES for 7-N',17-N'-di(dibenzofuran-3-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-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',17'-diamine is c1ccc(N(c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)ccc3c2C42c3ccccc3-c3ccccc32)c2ccc3c(c2)oc2ccccc23)cc1.
What is the InChIKey of 7-N',17-N'-di(dibenzofuran-3-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-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',17'-diamine?
The InChIKey is SNSDKAOYWKTZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42N2O2/c1-3-15-45(16-4-1)70(49-31-37-57-55-21-9-13-25-63(55)72-65(57)41-49)47-29-35-51-43(39-47)27-33-59-60-34-28-44-40-48(71(46-17-5-2-6-18-46)50-32-38-58-56-22-10-14-26-64(56)73-66(58)42-50)30-36-52(44)68(60)69(67(51)59)61-23-11-7-19-53(61)54-20-8-12-24-62(54)69/h1-42H.
What are the key properties of 7-N',17-N'-di(dibenzofuran-3-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-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',17'-diamine?
7-N',17-N'-di(dibenzofuran-3-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-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',17'-diamine has a molecular weight of 931.11 g/mol, XLogP of 19.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N',17-N'-di(dibenzofuran-3-yl)-7-N',17-N'-diphenylspiro[fluorene-9,12'-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',17'-diamine is sourced from PubChem (CID 137494769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).