7-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-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

C61H46N2 — CID 137494010

IUPAC7-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-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
SMILESCc1ccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccccc5)c5cc(C)ccc5C)ccc3c2C42c3ccccc3-c3ccccc32)c(C)c1
InChIInChI=1S/C61H46N2/c1-39-24-34-57(42(4)35-39)62(45-15-7-5-8-16-45)47-28-32-49-43(37-47)26-30-53-54-31-27-44-38-48(63(46-17-9-6-10-18-46)58-36-40(2)23-25-41(58)3)29-33-50(44)60(54)61(59(49)53)55-21-13-11-19-51(55)52-20-12-14-22-56(52)61/h5-38H,1-4H3
InChIKeyVXAYVHTZFDXJAX-UHFFFAOYSA-N
MW807.05 g/mol
LogP16.51
Rot. Bonds6

About 7-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-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'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-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 137494010) has the molecular formula C61H46N2 and a molecular weight of 807.05 g/mol. Its IUPAC name is 7-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-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'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-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 CID137494010
Molecular FormulaC61H46N2
Molecular Weight807.05 g/mol
Exact Mass806.37
IUPAC Name7-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-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
SMILESCc1ccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccccc5)c5cc(C)ccc5C)ccc3c2C42c3ccccc3-c3ccccc32)c(C)c1
InChIInChI=1S/C61H46N2/c1-39-24-34-57(42(4)35-39)62(45-15-7-5-8-16-45)47-28-32-49-43(37-47)26-30-53-54-31-27-44-38-48(63(46-17-9-6-10-18-46)58-36-40(2)23-25-41(58)3)29-33-50(44)60(54)61(59(49)53)55-21-13-11-19-51(55)52-20-12-14-22-56(52)61/h5-38H,1-4H3
InChIKeyVXAYVHTZFDXJAX-UHFFFAOYSA-N
XLogP16.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.05
LogP ≤ 516.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-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

7-N',17-N'-bis(2,4-dimethylphenyl)-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 164938471
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
7-N',17-N'-bis(2,4-dimethylphenyl)-7-N',17-N'-diphenylspiro[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',17'-diamine
CID 137494477
3,6-ditert-butyl-7-N',17-N'-bis(2,5-dimethylphenyl)-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 140962525
N-(2-methylphenyl)-N-phenylspiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-amine
CID 137494879
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
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,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),16,18,20,22-dodecaene]-5'-amine;N-(2-methylphenyl)-N-phenylspiro[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),16,18,20,22-dodecaene]-5'-amine;N-(3-methylphenyl)-N-phenylspiro[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),16,18,20,22-dodecaene]-5'-amine;N-(4-methylphenyl)-N-phenylspiro[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),16,18,20,22-dodecaene]-5'-amine
CID 159703632
9-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-9-N'-[4-[3-(N-[9'-(N-(2,5-dimethylphenyl)anilino)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'-yl]-2,5-dimethylanilino)phenyl]phenyl]-17-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]-9',17'-diamine
CID 137492881
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-3-amine
CID 145144939
5-N',20-N'-bis(4-methylphenyl)-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 137494022
7-N'-(2-methylphenyl)-7-N',17-N'-diphenyl-17-N'-(2-trimethylsilylphenyl)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',17'-diamine
CID 162125262

Frequently Asked Questions

What is the IUPAC name of 7-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-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'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-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 137494010) is 7-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-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'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-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'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-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 Cc1ccc(N(c2ccccc2)c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5ccccc5)c5cc(C)ccc5C)ccc3c2C42c3ccccc3-c3ccccc32)c(C)c1.
What is the InChIKey of 7-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-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 VXAYVHTZFDXJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H46N2/c1-39-24-34-57(42(4)35-39)62(45-15-7-5-8-16-45)47-28-32-49-43(37-47)26-30-53-54-31-27-44-38-48(63(46-17-9-6-10-18-46)58-36-40(2)23-25-41(58)3)29-33-50(44)60(54)61(59(49)53)55-21-13-11-19-51(55)52-20-12-14-22-56(52)61/h5-38H,1-4H3.
What are the key properties of 7-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-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'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-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 807.05 g/mol, XLogP of 16.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-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 137494010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).