7-N',7-N',18-N',18-N'-tetranaphthalen-2-ylspiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5(10),6,8,13,15,17,19-decaene]-7',18'-diamine

C73H46N2 — CID 118633764

IUPAC7-N',7-N',18-N',18-N'-tetranaphthalen-2-ylspiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5(10),6,8,13,15,17,19-decaene]-7',18'-diamine
SMILESc1ccc2c(c1)-c1ccccc1C21c2c(ccc3cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)ccc23)-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)c3cccc1c23
InChIInChI=1S/C73H46N2/c1-5-18-51-42-56(33-28-47(51)14-1)74(57-34-29-48-15-2-6-19-52(48)43-57)58-37-39-61-55(46-58)32-38-65-64-40-41-70(75(59-35-30-49-16-3-7-20-53(49)44-59)60-36-31-50-17-4-8-21-54(50)45-60)66-24-13-27-69(71(64)66)73(72(61)65)67-25-11-9-22-62(67)63-23-10-12-26-68(63)73/h1-46H
InChIKeyAXJXYTRKDSFGBB-UHFFFAOYSA-N
MW951.19 g/mol
LogP19.89
Rot. Bonds6

About 7-N',7-N',18-N',18-N'-tetranaphthalen-2-ylspiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5(10),6,8,13,15,17,19-decaene]-7',18'-diamine

7-N',7-N',18-N',18-N'-tetranaphthalen-2-ylspiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5(10),6,8,13,15,17,19-decaene]-7',18'-diamine (PubChem CID 118633764) has the molecular formula C73H46N2 and a molecular weight of 951.19 g/mol. Its IUPAC name is 7-N',7-N',18-N',18-N'-tetranaphthalen-2-ylspiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5(10),6,8,13,15,17,19-decaene]-7',18'-diamine.

Molecular Properties

Compound Name7-N',7-N',18-N',18-N'-tetranaphthalen-2-ylspiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5(10),6,8,13,15,17,19-decaene]-7',18'-diamine
PubChem CID118633764
Molecular FormulaC73H46N2
Molecular Weight951.19 g/mol
Exact Mass950.37
IUPAC Name7-N',7-N',18-N',18-N'-tetranaphthalen-2-ylspiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5(10),6,8,13,15,17,19-decaene]-7',18'-diamine
SMILESc1ccc2c(c1)-c1ccccc1C21c2c(ccc3cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)ccc23)-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)c3cccc1c23
InChIInChI=1S/C73H46N2/c1-5-18-51-42-56(33-28-47(51)14-1)74(57-34-29-48-15-2-6-19-52(48)43-57)58-37-39-61-55(46-58)32-38-65-64-40-41-70(75(59-35-30-49-16-3-7-20-53(49)44-59)60-36-31-50-17-4-8-21-54(50)45-60)66-24-13-27-69(71(64)66)73(72(61)65)67-25-11-9-22-62(67)63-23-10-12-26-68(63)73/h1-46H
InChIKeyAXJXYTRKDSFGBB-UHFFFAOYSA-N
XLogP19.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.19
LogP ≤ 519.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-N',7-N',18-N',18-N'-tetranaphthalen-2-ylspiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5(10),6,8,13,15,17,19-decaene]-7',18'-diamine with MolForge

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Related Compounds

N-phenyl-N-(3-phenylphenyl)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'-amine
CID 140962656
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
3-N,9-N-bis(2,4-diphenylphenyl)-3-N,9-N-diphenylspiro[benzo[a]fluorene-11,9'-fluorene]-3,9-diamine
CID 137492860
N-(4-tert-butylphenyl)-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'-ylspiro[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'-amine
CID 137494996
9-N',17-N'-diphenyl-9-N',17-N'-bis(4-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
CID 137492974
N-(2,4-dimethylphenyl)-N-phenylspiro[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'-amine
CID 137494447
N-naphthalen-2-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-3-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 164794305
3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034437
N-phenyl-N-(3-phenylphenyl)-7'-[3-[2-(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'-ylanilino)phenyl]phenyl]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]-17'-amine
CID 137493832
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine
CID 145144966
7-N',7-N',17-N',17-N'-tetrakis(3,4,5-trimethylphenyl)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 164938426
N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaen-4-amine
CID 156664798

Frequently Asked Questions

What is the IUPAC name of 7-N',7-N',18-N',18-N'-tetranaphthalen-2-ylspiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5(10),6,8,13,15,17,19-decaene]-7',18'-diamine?
The IUPAC name of 7-N',7-N',18-N',18-N'-tetranaphthalen-2-ylspiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5(10),6,8,13,15,17,19-decaene]-7',18'-diamine (CID 118633764) is 7-N',7-N',18-N',18-N'-tetranaphthalen-2-ylspiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5(10),6,8,13,15,17,19-decaene]-7',18'-diamine.
What is the SMILES notation for 7-N',7-N',18-N',18-N'-tetranaphthalen-2-ylspiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5(10),6,8,13,15,17,19-decaene]-7',18'-diamine?
The canonical SMILES for 7-N',7-N',18-N',18-N'-tetranaphthalen-2-ylspiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5(10),6,8,13,15,17,19-decaene]-7',18'-diamine is c1ccc2c(c1)-c1ccccc1C21c2c(ccc3cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)ccc23)-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)c3cccc1c23.
What is the InChIKey of 7-N',7-N',18-N',18-N'-tetranaphthalen-2-ylspiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5(10),6,8,13,15,17,19-decaene]-7',18'-diamine?
The InChIKey is AXJXYTRKDSFGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H46N2/c1-5-18-51-42-56(33-28-47(51)14-1)74(57-34-29-48-15-2-6-19-52(48)43-57)58-37-39-61-55(46-58)32-38-65-64-40-41-70(75(59-35-30-49-16-3-7-20-53(49)44-59)60-36-31-50-17-4-8-21-54(50)45-60)66-24-13-27-69(71(64)66)73(72(61)65)67-25-11-9-22-62(67)63-23-10-12-26-68(63)73/h1-46H.
What are the key properties of 7-N',7-N',18-N',18-N'-tetranaphthalen-2-ylspiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5(10),6,8,13,15,17,19-decaene]-7',18'-diamine?
7-N',7-N',18-N',18-N'-tetranaphthalen-2-ylspiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5(10),6,8,13,15,17,19-decaene]-7',18'-diamine has a molecular weight of 951.19 g/mol, XLogP of 19.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N',7-N',18-N',18-N'-tetranaphthalen-2-ylspiro[fluorene-9,12'-pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5(10),6,8,13,15,17,19-decaene]-7',18'-diamine is sourced from PubChem (CID 118633764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).