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

C69H62N2 — CID 164938426

IUPAC7-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
SMILESCc1cc(N(c2cc(C)c(C)c(C)c2)c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5cc(C)c(C)c(C)c5)c5cc(C)c(C)c(C)c5)ccc3c2C42c3ccccc3-c3ccccc32)cc(C)c1C
InChIInChI=1S/C69H62N2/c1-39-29-55(30-40(2)47(39)9)70(56-31-41(3)48(10)42(4)32-56)53-23-27-59-51(37-53)21-25-63-64-26-22-52-38-54(71(57-33-43(5)49(11)44(6)34-57)58-35-45(7)50(12)46(8)36-58)24-28-60(52)68(64)69(67(59)63)65-19-15-13-17-61(65)62-18-14-16-20-66(62)69/h13-38H,1-12H3
InChIKeyBKFSGGPFTYTORW-UHFFFAOYSA-N
MW919.27 g/mol
LogP18.98
Rot. Bonds6

About 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

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 (PubChem CID 164938426) has the molecular formula C69H62N2 and a molecular weight of 919.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID164938426
Molecular FormulaC69H62N2
Molecular Weight919.27 g/mol
Exact Mass918.49
IUPAC Name7-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
SMILESCc1cc(N(c2cc(C)c(C)c(C)c2)c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5cc(C)c(C)c(C)c5)c5cc(C)c(C)c(C)c5)ccc3c2C42c3ccccc3-c3ccccc32)cc(C)c1C
InChIInChI=1S/C69H62N2/c1-39-29-55(30-40(2)47(39)9)70(56-31-41(3)48(10)42(4)32-56)53-23-27-59-51(37-53)21-25-63-64-26-22-52-38-54(71(57-33-43(5)49(11)44(6)34-57)58-35-45(7)50(12)46(8)36-58)24-28-60(52)68(64)69(67(59)63)65-19-15-13-17-61(65)62-18-14-16-20-66(62)69/h13-38H,1-12H3
InChIKeyBKFSGGPFTYTORW-UHFFFAOYSA-N
XLogP18.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.27
LogP ≤ 518.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N',20-N'-diphenyl-5-N',20-N'-bis(3,4,5-trimethylphenyl)spiro[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 137493831
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',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-(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
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[a]fluorene-11,9'-fluorene]-3-amine
CID 145144939
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
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
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',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
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-(4-tert-butylphenyl)-N-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]-17'-ylspiro[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]-17'-amine
CID 137493467
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(N(c2cc(C)c(C)c(C)c2)c2ccc3c4c(ccc3c2)-c2ccc3cc(N(c5cc(C)c(C)c(C)c5)c5cc(C)c(C)c(C)c5)ccc3c2C42c3ccccc3-c3ccccc32)cc(C)c1C.
What is the InChIKey of 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?
The InChIKey is BKFSGGPFTYTORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H62N2/c1-39-29-55(30-40(2)47(39)9)70(56-31-41(3)48(10)42(4)32-56)53-23-27-59-51(37-53)21-25-63-64-26-22-52-38-54(71(57-33-43(5)49(11)44(6)34-57)58-35-45(7)50(12)46(8)36-58)24-28-60(52)68(64)69(67(59)63)65-19-15-13-17-61(65)62-18-14-16-20-66(62)69/h13-38H,1-12H3.
What are the key properties of 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?
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 has a molecular weight of 919.27 g/mol, XLogP of 18.98, 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',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 is sourced from PubChem (CID 164938426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).