13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene-13,28-diamine

C60H48N4 — CID 146263305

IUPAC13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene-13,28-diamine

SMILESCC(C)c1ccc(N(C2=C3c4ccccc4N4c5cc6c7ccc(N(c8ccccc8)c8ccc(C(C)C)cc8)c8c9ccccc9n(c6cc5C(C=C2)C34)c78)c2ccccc2)cc1

InChIInChI=1S/C60H48N4/c1-37(2)39-23-27-43(28-24-39)61(41-15-7-5-8-16-41)53-33-31-45-49-35-56-50(36-55(49)63-51-21-13-11-19-47(51)57(53)59(45)63)46-32-34-54(58-48-20-12-14-22-52(48)64(56)60(46)58)62(42-17-9-6-10-18-42)44-29-25-40(26-30-44)38(3)4/h5-38,45,59H,1-4H3

InChIKeyCIHZQTDNPWJJKB-UHFFFAOYSA-N

MW825.07 g/mol

LogP16.29

Rot. Bonds8

About 13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene-13,28-diamine

13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene-13,28-diamine (PubChem CID 146263305) has the molecular formula C60H48N4 and a molecular weight of 825.07 g/mol. Its IUPAC name is 13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene-13,28-diamine.

Molecular Properties

Compound Name	13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene-13,28-diamine
PubChem CID	146263305
Molecular Formula	C60H48N4
Molecular Weight	825.07 g/mol
Exact Mass	824.39
IUPAC Name	13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene-13,28-diamine
SMILES	CC(C)c1ccc(N(C2=C3c4ccccc4N4c5cc6c7ccc(N(c8ccccc8)c8ccc(C(C)C)cc8)c8c9ccccc9n(c6cc5C(C=C2)C34)c78)c2ccccc2)cc1
InChI	InChI=1S/C60H48N4/c1-37(2)39-23-27-43(28-24-39)61(41-15-7-5-8-16-41)53-33-31-45-49-35-56-50(36-55(49)63-51-21-13-11-19-47(51)57(53)59(45)63)46-32-34-54(58-48-20-12-14-22-52(48)64(56)60(46)58)62(42-17-9-6-10-18-42)44-29-25-40(26-30-44)38(3)4/h5-38,45,59H,1-4H3
InChIKey	CIHZQTDNPWJJKB-UHFFFAOYSA-N
XLogP	16.29
TPSA	14.13 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	8
Heavy Atoms	64
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.07
LogP ≤ 5	16.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene-13,28-diamine?

The IUPAC name of 13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene-13,28-diamine (CID 146263305) is 13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene-13,28-diamine.

What is the SMILES notation for 13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene-13,28-diamine?

The canonical SMILES for 13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene-13,28-diamine is CC(C)c1ccc(N(C2=C3c4ccccc4N4c5cc6c7ccc(N(c8ccccc8)c8ccc(C(C)C)cc8)c8c9ccccc9n(c6cc5C(C=C2)C34)c78)c2ccccc2)cc1.

What is the InChIKey of 13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene-13,28-diamine?

The InChIKey is CIHZQTDNPWJJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N4/c1-37(2)39-23-27-43(28-24-39)61(41-15-7-5-8-16-41)53-33-31-45-49-35-56-50(36-55(49)63-51-21-13-11-19-47(51)57(53)59(45)63)46-32-34-54(58-48-20-12-14-22-52(48)64(56)60(46)58)62(42-17-9-6-10-18-42)44-29-25-40(26-30-44)38(3)4/h5-38,45,59H,1-4H3.

What are the key properties of 13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene-13,28-diamine?

13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene-13,28-diamine has a molecular weight of 825.07 g/mol, XLogP of 16.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,18,21,23,25,27,29-tetradecaene-13,28-diamine is sourced from PubChem (CID 146263305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).