N,N-diphenyl-2',7',9,14-tetra(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.023,28.029,33.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]-30-amine

C67H56BN3 — CID 177290099

About N,N-diphenyl-2',7',9,14-tetra(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.023,28.029,33.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]-30-amine

N,N-diphenyl-2',7',9,14-tetra(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.023,28.029,33.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]-30-amine (PubChem CID 177290099) has the molecular formula C67H56BN3 and a molecular weight of 914.02 g/mol. Its IUPAC name is N,N-diphenyl-2',7',9,14-tetra(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.023,28.029,33.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]-30-amine.

Molecular Properties

• Compound Name: N,N-diphenyl-2',7',9,14-tetra(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.023,28.029,33.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]-30-amine
• PubChem CID: 177290099
• Molecular Formula: C67H56BN3
• Molecular Weight: 914.02 g/mol
• Exact Mass: 913.46
• IUPAC Name: N,N-diphenyl-2',7',9,14-tetra(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.023,28.029,33.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]-30-amine
• SMILES: CC(C)c1ccc2c(c1)C1(c3cc(C(C)C)ccc3-2)c2ccc3c4c2-n2c5c(cc(C(C)C)cc5c5cc(C(C)C)cc1c52)B4c1ccc(N(c2ccccc2)c2ccccc2)c2c4ccccc4n-3c12
• InChI: InChI=1S/C67H56BN3/c1-37(2)41-23-25-47-48-26-24-42(38(3)4)34-54(48)67(53(47)33-41)52-27-29-60-62-65(52)71-63-50(31-43(39(5)6)35-55(63)67)51-32-44(40(7)8)36-57(64(51)71)68(62)56-28-30-59(61-49-21-15-16-22-58(49)70(60)66(56)61)69(45-17-11-9-12-18-45)46-19-13-10-14-20-46/h9-40H,1-8H3
• InChIKey: UCNCIALERRMRGO-UHFFFAOYSA-N
• XLogP: 15.66
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	914.02
LogP ≤ 5	15.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2',7',9,14-tetra(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.023,28.029,33.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]-30-amine?

The IUPAC name of N,N-diphenyl-2',7',9,14-tetra(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.023,28.029,33.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]-30-amine (CID 177290099) is N,N-diphenyl-2',7',9,14-tetra(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.023,28.029,33.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]-30-amine.

What is the SMILES notation for N,N-diphenyl-2',7',9,14-tetra(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.023,28.029,33.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]-30-amine?

The canonical SMILES for N,N-diphenyl-2',7',9,14-tetra(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.023,28.029,33.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]-30-amine is CC(C)c1ccc2c(c1)C1(c3cc(C(C)C)ccc3-2)c2ccc3c4c2-n2c5c(cc(C(C)C)cc5c5cc(C(C)C)cc1c52)B4c1ccc(N(c2ccccc2)c2ccccc2)c2c4ccccc4n-3c12.

What is the InChIKey of N,N-diphenyl-2',7',9,14-tetra(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.023,28.029,33.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]-30-amine?

The InChIKey is UCNCIALERRMRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H56BN3/c1-37(2)41-23-25-47-48-26-24-42(38(3)4)34-54(48)67(53(47)33-41)52-27-29-60-62-65(52)71-63-50(31-43(39(5)6)35-55(63)67)51-32-44(40(7)8)36-57(64(51)71)68(62)56-28-30-59(61-49-21-15-16-22-58(49)70(60)66(56)61)69(45-17-11-9-12-18-45)46-19-13-10-14-20-46/h9-40H,1-8H3.

What are the key properties of N,N-diphenyl-2',7',9,14-tetra(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.023,28.029,33.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]-30-amine?

N,N-diphenyl-2',7',9,14-tetra(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.023,28.029,33.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]-30-amine has a molecular weight of 914.02 g/mol, XLogP of 15.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-2',7',9,14-tetra(propan-2-yl)spiro[5,22-diaza-2-boradecacyclo[20.10.1.15,12.02,7.03,21.04,18.06,11.023,28.029,33.016,34]tetratriaconta-1(33),3(21),4(18),6(11),7,9,12(34),13,15,19,23,25,27,29,31-pentadecaene-17,9'-fluorene]-30-amine is sourced from PubChem (CID 177290099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).