9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-2'-fluorospiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,18,20-decaene-12,9'-fluorene]-9,15-diamine

C75H71FN2O — CID 168728844

IUPAC9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-2'-fluorospiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,18,20-decaene-12,9'-fluorene]-9,15-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4c2C2C=CC=CC2O4)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c4ccccc24)C32c3ccccc3-c3ccc(F)cc32)cc1
InChIInChI=1S/C75H71FN2O/c1-71(2,3)46-25-34-51(35-26-46)77(52-36-27-47(28-37-52)72(4,5)6)64-44-62-67(58-21-14-13-20-57(58)64)69-63(75(62)60-23-17-15-19-55(60)56-42-33-50(76)43-61(56)75)45-65(68-59-22-16-18-24-66(59)79-70(68)69)78(53-38-29-48(30-39-53)73(7,8)9)54-40-31-49(32-41-54)74(10,11)12/h13-45,59,66H,1-12H3
InChIKeyJHRXHCPJCLMQEU-UHFFFAOYSA-N
MW1035.40 g/mol
LogP20.42
Rot. Bonds6

About 9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-2'-fluorospiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,18,20-decaene-12,9'-fluorene]-9,15-diamine

9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-2'-fluorospiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,18,20-decaene-12,9'-fluorene]-9,15-diamine (PubChem CID 168728844) has the molecular formula C75H71FN2O and a molecular weight of 1035.40 g/mol. Its IUPAC name is 9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-2'-fluorospiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,18,20-decaene-12,9'-fluorene]-9,15-diamine.

Molecular Properties

Compound Name9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-2'-fluorospiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,18,20-decaene-12,9'-fluorene]-9,15-diamine
PubChem CID168728844
Molecular FormulaC75H71FN2O
Molecular Weight1035.40 g/mol
Exact Mass1034.56
IUPAC Name9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-2'-fluorospiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,18,20-decaene-12,9'-fluorene]-9,15-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4c2C2C=CC=CC2O4)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c4ccccc24)C32c3ccccc3-c3ccc(F)cc32)cc1
InChIInChI=1S/C75H71FN2O/c1-71(2,3)46-25-34-51(35-26-46)77(52-36-27-47(28-37-52)72(4,5)6)64-44-62-67(58-21-14-13-20-57(58)64)69-63(75(62)60-23-17-15-19-55(60)56-42-33-50(76)43-61(56)75)45-65(68-59-22-16-18-24-66(59)79-70(68)69)78(53-38-29-48(30-39-53)73(7,8)9)54-40-31-49(32-41-54)74(10,11)12/h13-45,59,66H,1-12H3
InChIKeyJHRXHCPJCLMQEU-UHFFFAOYSA-N
XLogP20.42
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.40
LogP ≤ 520.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-2'-fluorospiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,18,20-decaene-12,9'-fluorene]-9,15-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,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[4a,12a-dihydrofluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine
CID 168728813
9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine
CID 118688084
5-N,9-N-bis(4-tert-butylphenyl)-5-N,9-N-bis(3-methylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 167178435
N,4-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-5a,9a-dihydrodibenzofuran-3-amine
CID 135277465
9-N',15-N'-bis(4-ethylphenyl)-9-N',15-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
CID 140962756
N-(4-fluorophenyl)-N-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-amine
CID 137494887
N-(4-tert-butylphenyl)-7-(4-ethenylphenyl)-7-(4-fluorocyclohexa-1,3-dien-1-yl)-10-methyl-N-phenyl-11-(2-propylphenyl)-4a,8,9,12a-tetrahydrofluoreno[4,3-b][1]benzofuran-5-amine
CID 166816599
9-N,15-N-bis(4-tert-butylphenyl)-9-N,15-N-bis[4-(trimethyl-λ4-sulfanyl)phenyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine
CID 130248084
5-N,5-N,9-N,9-N-tetraphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 59755274
9-N-(4a,8a-dihydronaphthalen-1-yl)-5-N,9-N-bis(4-tert-butylphenyl)-5-N-naphthalen-1-ylspiro[benzo[c]fluorene-7,9'-xanthene]-5,9-diamine
CID 139396285
2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,9,11,15,17,19,21,24-undecaene]-2,7-diamine
CID 146587287
11-N,17-N-bis(4-tert-butylphenyl)-11-N,17-N-bis[4-(2-fluorophenyl)phenyl]spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15(20),16,18-nonaene-14,9'-fluorene]-11,17-diamine
CID 126632935

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-2'-fluorospiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,18,20-decaene-12,9'-fluorene]-9,15-diamine?
The IUPAC name of 9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-2'-fluorospiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,18,20-decaene-12,9'-fluorene]-9,15-diamine (CID 168728844) is 9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-2'-fluorospiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,18,20-decaene-12,9'-fluorene]-9,15-diamine.
What is the SMILES notation for 9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-2'-fluorospiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,18,20-decaene-12,9'-fluorene]-9,15-diamine?
The canonical SMILES for 9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-2'-fluorospiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,18,20-decaene-12,9'-fluorene]-9,15-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4c2C2C=CC=CC2O4)-c2c(cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c4ccccc24)C32c3ccccc3-c3ccc(F)cc32)cc1.
What is the InChIKey of 9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-2'-fluorospiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,18,20-decaene-12,9'-fluorene]-9,15-diamine?
The InChIKey is JHRXHCPJCLMQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H71FN2O/c1-71(2,3)46-25-34-51(35-26-46)77(52-36-27-47(28-37-52)72(4,5)6)64-44-62-67(58-21-14-13-20-57(58)64)69-63(75(62)60-23-17-15-19-55(60)56-42-33-50(76)43-61(56)75)45-65(68-59-22-16-18-24-66(59)79-70(68)69)78(53-38-29-48(30-39-53)73(7,8)9)54-40-31-49(32-41-54)74(10,11)12/h13-45,59,66H,1-12H3.
What are the key properties of 9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-2'-fluorospiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,18,20-decaene-12,9'-fluorene]-9,15-diamine?
9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-2'-fluorospiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,18,20-decaene-12,9'-fluorene]-9,15-diamine has a molecular weight of 1035.40 g/mol, XLogP of 20.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,9-N,15-N,15-N-tetrakis(4-tert-butylphenyl)-2'-fluorospiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,18,20-decaene-12,9'-fluorene]-9,15-diamine is sourced from PubChem (CID 168728844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).